#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT LOG acorn
#CCP4I DATE 22 Nov 2006  15:53:22
#CCP4I USER phzwart
#CCP4I PROJECT betty
#CCP4I JOB_ID 6
#CCP4I SCRATCH /tmp/phzwart
#CCP4I HOSTNAME rosie.lbl.gov
#CCP4I PID 12992

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 ### CCP4 6.0: ACORN              version 6.0       : 26/09/06##
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 User: phzwart  Run date: 22/11/2006 Run time: 15:53:34 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

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 Data line--- title [No title given]
          TITLE OF MTZ FILE REPLACED BY:
               [No title given]                                                                

 Data line--- labin  FP=FP SIGFP=SIGFP E=E
            3 column labels have been assigned.
          NOTE: missing number analysis only performed for these columns!!

 Data line--- labout  PHIOUT=PHIOUT WTOUT=WTOUT
 Comment line--- #General ACORN keywords
 Data line--- GRID 0.3
 Comment line--- #Select Reflection Data
 Comment line--- #Select Model Parameters
 Data line--- RATM 50000 20
 Comment line--- #ACORN-MR keywords
 Comment line--- #ACORN-PHASE keywords
 Data line--- NTRY 1
 Data line--- NCSER     0
 Data line--- NCDDM     500
 Data line--- EXTEND 100 1
 Data line--- END



 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo.mtz 

 * Title:

 [No title given] [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 13

 * Number of Reflections = 21166

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From ECALC 22/11/2006 15:20:58                                                  
 Date 2006-11-22 Time 15:15:03 PST -0800                                         
 > program: iotbx.reflection_file_converter                                      
 > input file name: BWS11-I432-1t360.sca                                         
 > input directory: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data     
 > input labels: i_obs,sigma                                                     
 > R-free flags generated by iotbx.reflection_file_converter:                    
 >   Date 2006-11-22 Time 15:15:03 PST -0800                                     
 >   fraction: 0.1                                                               
 >   max_free: 2000                                                              
 >   size of work set: 2208                                                      
 >   size of free set: 246                                                       
 > output file name: betty.mtz                                                   
 > output directory: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data    
 data from CAD on 22/11/06                                                       

 * Column Labels :

 H K L dum1 sdum1 FP SIGFP R-free-flags F_ECALC E SIGE F2OR E2OR

 * Column Types :

 H H H F Q F Q I F E Q J J

 * Associated datasets :

 0 0 0 0 0 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00034    0.99996     (     54.233 -      1.000 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)

From ccp4_lrassn: expected type F does not match file type E for column E

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 Number of alternate origins for spacegroup:   I 4 3 2  is: 2 

 Norigin     Ox      Oy      Oz

       1  0.0000  0.0000  0.0000
       2  0.5000  0.5000  0.5000

  ******   CENTRIC ZONES  ****** 

  CENTRIC Zone   1
  Reflections of type  0kl 

  CENTRIC Zone   2
  Reflections of type  h0l 

  CENTRIC Zone   3
  Reflections of type  hk0 

  CENTRIC Zone   4
  Reflections of type  hhl 

  CENTRIC Zone   5
  Reflections of type  hkh 

  CENTRIC Zone   6
  Reflections of type  hkk 

  CENTRIC Zone   7
  Reflections of type  h -hl 

  CENTRIC Zone   8
  Reflections of type  hk -h 

  CENTRIC Zone   9
  Reflections of type  hk -k 


FORMATTED      OLD     file opened on unit  45
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Logical name: ATOMSF, Filename: /net/rosie/scratch1/phzwart/ccp4/ccp4-6.0.2/lib/data/atomsf.lib
<!--SUMMARY_END--></FONT></B>


 NUMFO =       21166 LIMBUF =    17711200 LPAR =           0 NURO =           0
 LPART =           0  LBUFT =           0


 The resolution range of observed reflections is from   22.16 to    2.10 A.

 The resolution range of extended reflections is from   54.23 to    1.00 A.

 Data line--- labout  PHIOUT=PHIOUT WTOUT=WTOUT

 The total number of reflections                       =     2454

 The Strong reflections with E from   0.627 to   3.244 =     1522
 The medium reflections with E from   0.100 to   0.627 =      875
 The  weak  reflections with E from   0.000 to   0.100 =       57

 The number of reflections used for FOM =     875

 The scale factor for extended reflections =    0.3405

 The number of extended reflections =    18712


 Volume =  452065.31 F000 =   91664.70 E000 =     114.90

 Random single atom searching using     20.00 % reflections before RESORT.

 The total number of sets =      50000

                     XF        YF        ZF        CC    NREF    NSET     ORDER
 INITIAL RATM   0.02672   0.00663   0.00872   0.14331    2454       1       249
 INITIAL RATM   0.01044   0.03312   0.01284   0.13443    2454       2      2539
 INITIAL RATM   0.44483   0.02925   0.03976   0.12290    2454       3      3177
 INITIAL RATM   0.06157   0.08051   0.05248   0.11904    2454       4       439
 INITIAL RATM   0.08009   0.06170   0.05249   0.11883    2454       5       441
 INITIAL RATM   0.44455   0.05737   0.08157   0.11739    2454       6      3011
 INITIAL RATM   0.00533   0.02858   0.03993   0.11597    2454       7       377
 INITIAL RATM   0.03085   0.00927   0.04240   0.11411    2454       8       891
 INITIAL RATM   0.41690   0.05899   0.05326   0.11331    2454       9      1600
 INITIAL RATM   0.41695   0.05265   0.05988   0.11326    2454      10       984
 INITIAL RATM   0.39048   0.03381   0.08754   0.11177    2454      11      1537
 INITIAL RATM   0.49001   0.03572   0.01111   0.11093    2454      12      1363
 INITIAL RATM   0.48953   0.01100   0.03611   0.11081    2454      13      3854
 INITIAL RATM   0.38821   0.08493   0.03269   0.11018    2454      14      2152
 INITIAL RATM   0.02755   0.11188   0.04714   0.10995    2454      15      1824
 INITIAL RATM   0.02793   0.04692   0.11155   0.10966    2454      16      2359
 INITIAL RATM   0.05602   0.02930   0.03858   0.10864    2454      17       748
 INITIAL RATM   0.03897   0.02917   0.05585   0.10848    2454      18       499
 INITIAL RATM   0.08417   0.05709   0.07514   0.10840    2454      19       730
 INITIAL RATM   0.05670   0.08436   0.07518   0.10814    2454      20        75
 INITIAL RATM   0.41392   0.05873   0.11070   0.10697    2454      21       214
 INITIAL RATM   0.41424   0.11126   0.05860   0.10694    2454      22       626
 INITIAL RATM   0.41347   0.22347   0.11300   0.10625    2454      23      2415
 INITIAL RATM   0.32651   0.15218   0.03864   0.10470    2454      24      3134
 INITIAL RATM   0.19842   0.24812   0.11073   0.10434    2454      25      1321
 INITIAL RATM   0.24821   0.19855   0.11071   0.10431    2454      26      1482
 INITIAL RATM   0.06817   0.04777   0.01021   0.10409    2454      27      1148
 INITIAL RATM   0.04840   0.06858   0.00999   0.10405    2454      28       800
 INITIAL RATM   0.02908   0.02955   0.04274   0.10399    2454      29      3503
 INITIAL RATM   0.00759   0.04933   0.02939   0.10363    2454      30       278
 INITIAL RATM   0.04942   0.00737   0.02904   0.10347    2454      31      3826
 INITIAL RATM   0.44303   0.03960   0.07922   0.10158    2454      32      1153
 INITIAL RATM   0.44363   0.07875   0.03955   0.10155    2454      33      1613
 INITIAL RATM   0.38348   0.19221   0.08550   0.10133    2454      34       996
 INITIAL RATM   0.44303   0.19386   0.08563   0.10022    2454      35       567
 INITIAL RATM   0.03876   0.01480   0.03296   0.09979    2454      36      2791
 INITIAL RATM   0.38887   0.22506   0.08859   0.09933    2454      37      1558
 INITIAL RATM   0.03974   0.08098   0.02619   0.09922    2454      38      1891
 INITIAL RATM   0.04008   0.02679   0.08034   0.09911    2454      39       487
 INITIAL RATM   0.36553   0.24104   0.11286   0.09901    2454      40       390
 INITIAL RATM   0.41500   0.19092   0.11302   0.09872    2454      41      1481
 INITIAL RATM   0.39303   0.08363   0.05714   0.09715    2454      42      3267
 INITIAL RATM   0.39235   0.05740   0.08394   0.09708    2454      43      1916
 INITIAL RATM   0.40026   0.24174   0.12208   0.09628    2454      44       235
 INITIAL RATM   0.06039   0.10987   0.04941   0.09593    2454      45        59
 INITIAL RATM   0.49512   0.02828   0.03354   0.09588    2454      46      2314
 INITIAL RATM   0.10986   0.06002   0.04931   0.09577    2454      47        44
 INITIAL RATM   0.49506   0.03390   0.02781   0.09576    2454      48      3137
 INITIAL RATM   0.38741   0.22377   0.09835   0.09537    2454      49      3950
 INITIAL RATM   0.03612   0.08825   0.02884   0.09505    2454      50      2720
 INITIAL RATM   0.41706   0.11328   0.03283   0.09387    2454      51       854
 INITIAL RATM   0.36174   0.16414   0.05718   0.09329    2454      52      1759
 INITIAL RATM   0.49443   0.05203   0.03094   0.09325    2454      53       236
 INITIAL RATM   0.11257   0.24548   0.08462   0.09279    2454      54       396
 INITIAL RATM   0.10993   0.08247   0.03801   0.09272    2454      55      2889
 INITIAL RATM   0.24546   0.11226   0.08469   0.09264    2454      56       913
 INITIAL RATM   0.03830   0.08273   0.10925   0.09256    2454      57      2051
 INITIAL RATM   0.22475   0.08880   0.11357   0.09222    2454      58      1475
 INITIAL RATM   0.22460   0.11416   0.08885   0.09216    2454      59       412
 INITIAL RATM   0.44043   0.15353   0.09366   0.09207    2454      60       476
 INITIAL RATM   0.44391   0.24798   0.10889   0.09084    2454      61       856
 INITIAL RATM   0.44252   0.08597   0.07352   0.09030    2454      62      3219
 INITIAL RATM   0.20339   0.12806   0.05070   0.09020    2454      63      1995
 INITIAL RATM   0.33158   0.14042   0.02989   0.09007    2454      64       962
 INITIAL RATM   0.27576   0.11161   0.02870   0.08943    2454      65      3999
 INITIAL RATM   0.27536   0.02849   0.11119   0.08934    2454      66      2850
 INITIAL RATM   0.40735   0.21932   0.08626   0.08850    2454      67      2488
 INITIAL RATM   0.15192   0.09418   0.00854   0.08753    2454      68      1838
 INITIAL RATM   0.09379   0.15136   0.00887   0.08727    2454      69      1552
 INITIAL RATM   0.49063   0.04154   0.03096   0.08691    2454      70       294
 INITIAL RATM   0.12285   0.09382   0.03718   0.08677    2454      71      3233
 INITIAL RATM   0.12227   0.03771   0.09365   0.08675    2454      72      3317
 INITIAL RATM   0.30476   0.16927   0.04824   0.08593    2454      73      1920
 INITIAL RATM   0.05718   0.04744   0.03109   0.08558    2454      74      2564
 INITIAL RATM   0.07271   0.01058   0.08623   0.08477    2454      75      3772
 INITIAL RATM   0.15052   0.14839   0.03739   0.08474    2454      76      3986
 INITIAL RATM   0.07205   0.08646   0.01097   0.08454    2454      77      2549
 INITIAL RATM   0.20777   0.07785   0.05588   0.08437    2454      78       304
 INITIAL RATM   0.13851   0.04697   0.05881   0.08422    2454      79      2936
 INITIAL RATM   0.42138   0.08731   0.05658   0.08361    2454      80      1669
 INITIAL RATM   0.42127   0.05654   0.08750   0.08336    2454      81      2610
 INITIAL RATM   0.24790   0.05420   0.10812   0.08289    2454      82        76
 INITIAL RATM   0.24839   0.10769   0.05425   0.08284    2454      83       482
 INITIAL RATM   0.24539   0.19767   0.10633   0.08007    2454      84      2032
 INITIAL RATM   0.43299   0.08331   0.05243   0.07999    2454      85      2489
 INITIAL RATM   0.44381   0.15131   0.03901   0.07978    2454      86      2960
 INITIAL RATM   0.05855   0.03245   0.04940   0.07951    2454      87      2563
 INITIAL RATM   0.46061   0.05598   0.08074   0.07934    2454      88       410
 INITIAL RATM   0.05383   0.11216   0.08807   0.07873    2454      89      1036
 INITIAL RATM   0.02869   0.20392   0.04429   0.07864    2454      90      2944
 INITIAL RATM   0.47157   0.00819   0.10418   0.07858    2454      91      2677
 INITIAL RATM   0.38894   0.24774   0.08652   0.07858    2454      92      3166
 INITIAL RATM   0.28356   0.18665   0.10807   0.07849    2454      93       454
 INITIAL RATM   0.41401   0.06226   0.04782   0.07848    2454      94      2053
 INITIAL RATM   0.33369   0.04352   0.02939   0.07831    2454      95        86
 INITIAL RATM   0.13491   0.15012   0.12351   0.07829    2454      96      1907
 INITIAL RATM   0.39449   0.02875   0.08471   0.07827    2454      97      2902
 INITIAL RATM   0.40767   0.11345   0.08649   0.07814    2454      98       726
 INITIAL RATM   0.41610   0.03835   0.11302   0.07803    2454      99      1129
 INITIAL RATM   0.06145   0.00617   0.08239   0.07799    2454     100      1079
 INITIAL RATM   0.36245   0.06831   0.05331   0.07779    2454     101      2587
 INITIAL RATM   0.04137   0.14811   0.03216   0.07773    2454     102      1435
 INITIAL RATM   0.41448   0.24210   0.11200   0.07768    2454     103      1929
 INITIAL RATM   0.46220   0.18371   0.07197   0.07749    2454     104      2593
 INITIAL RATM   0.05122   0.21231   0.06952   0.07746    2454     105      2030
 INITIAL RATM   0.33161   0.11178   0.09176   0.07725    2454     106      3766
 INITIAL RATM   0.04863   0.13785   0.05534   0.07721    2454     107      2392
 INITIAL RATM   0.31926   0.21542   0.06884   0.07707    2454     108      1674
 INITIAL RATM   0.43934   0.10974   0.08077   0.07695    2454     109      2799
 INITIAL RATM   0.17405   0.14956   0.01236   0.07690    2454     110      1398
 INITIAL RATM   0.37085   0.09908   0.00897   0.07658    2454     111       707
 INITIAL RATM   0.43852   0.08106   0.11119   0.07646    2454     112      2603
 INITIAL RATM   0.03331   0.14744   0.04042   0.07634    2454     113      3478
 INITIAL RATM   0.02544   0.05374   0.03888   0.07626    2454     114       273
 INITIAL RATM   0.38321   0.09744   0.03781   0.07625    2454     115      1866
 INITIAL RATM   0.37927   0.03507   0.09865   0.07618    2454     116      2964
 INITIAL RATM   0.41191   0.05512   0.10581   0.07599    2454     117      1093
 INITIAL RATM   0.45064   0.18075   0.07328   0.07594    2454     118      2764
 INITIAL RATM   0.46422   0.08826   0.05599   0.07592    2454     119      3978
 INITIAL RATM   0.21951   0.05789   0.11024   0.07588    2454     120      1777
 INITIAL RATM   0.38391   0.08504   0.10096   0.07581    2454     121      3973
 INITIAL RATM   0.40868   0.06018   0.10943   0.07578    2454     122       299
 INITIAL RATM   0.41610   0.06496   0.11457   0.07550    2454     123      1263
 INITIAL RATM   0.39520   0.11392   0.02852   0.07513    2454     124      3425
 INITIAL RATM   0.01093   0.08092   0.05540   0.07510    2454     125      2666
 INITIAL RATM   0.41793   0.05367   0.10787   0.07501    2454     126      3181
 INITIAL RATM   0.02814   0.11162   0.08115   0.07497    2454     127      3729
 INITIAL RATM   0.44751   0.13818   0.10318   0.07494    2454     128      2044
 INITIAL RATM   0.08838   0.02895   0.11224   0.07475    2454     129      1770
 INITIAL RATM   0.08211   0.10954   0.04215   0.07461    2454     130       892
 INITIAL RATM   0.41492   0.06770   0.10761   0.07460    2454     131      2126
 INITIAL RATM   0.09010   0.02980   0.07719   0.07439    2454     132       218
 INITIAL RATM   0.44385   0.08980   0.11247   0.07419    2454     133      2754
 INITIAL RATM   0.11264   0.08476   0.04261   0.07400    2454     134      3033
 INITIAL RATM   0.40963   0.22085   0.05324   0.07396    2454     135      2966
 INITIAL RATM   0.08276   0.10986   0.02900   0.07392    2454     136      3511
 INITIAL RATM   0.07729   0.21026   0.05298   0.07387    2454     137      1210
 INITIAL RATM   0.00964   0.11132   0.08350   0.07368    2454     138      1074
 INITIAL RATM   0.05508   0.13439   0.11101   0.07335    2454     139       143
 INITIAL RATM   0.38503   0.04624   0.02879   0.07333    2454     140      1241
 INITIAL RATM   0.08381   0.00617   0.06354   0.07318    2454     141      1619
 INITIAL RATM   0.44219   0.13610   0.03979   0.07314    2454     142      2418
 INITIAL RATM   0.21951   0.08894   0.11204   0.07300    2454     143      3090
 INITIAL RATM   0.46746   0.12755   0.05495   0.07295    2454     144      3918
 INITIAL RATM   0.13336   0.20201   0.08021   0.07293    2454     145       315
 INITIAL RATM   0.27274   0.11199   0.05861   0.07284    2454     146      1025
 INITIAL RATM   0.29884   0.24965   0.11269   0.07272    2454     147      3150
 INITIAL RATM   0.19290   0.08518   0.10796   0.07265    2454     148      2238
 INITIAL RATM   0.00390   0.16668   0.03222   0.07265    2454     149      3866
 INITIAL RATM   0.45618   0.18072   0.06966   0.07262    2454     150      1872
 INITIAL RATM   0.04961   0.20596   0.07081   0.07242    2454     151      2451
 INITIAL RATM   0.09512   0.13040   0.05914   0.07232    2454     152       332
 INITIAL RATM   0.03566   0.09096   0.11387   0.07209    2454     153      3604
 INITIAL RATM   0.02812   0.04287   0.01465   0.07195    2454     154      3873
 INITIAL RATM   0.38707   0.02840   0.07982   0.07187    2454     155       775
 INITIAL RATM   0.12888   0.10500   0.05625   0.07186    2454     156      1137
 INITIAL RATM   0.49466   0.13771   0.03171   0.07182    2454     157      1697
 INITIAL RATM   0.48792   0.03182   0.08456   0.07180    2454     158      2908
 INITIAL RATM   0.38556   0.02987   0.04812   0.07178    2454     159      1317
 INITIAL RATM   0.08947   0.08048   0.03079   0.07167    2454     160       220
 INITIAL RATM   0.11206   0.13381   0.01066   0.07157    2454     161      2529
 INITIAL RATM   0.28587   0.17837   0.10730   0.07154    2454     162       981
 INITIAL RATM   0.26562   0.24982   0.00939   0.07139    2454     163      3572
 INITIAL RATM   0.38707   0.03727   0.08034   0.07137    2454     164      3998
 INITIAL RATM   0.24749   0.18928   0.10993   0.07113    2454     165      3531
 INITIAL RATM   0.40407   0.08117   0.11124   0.07102    2454     166      1511
 INITIAL RATM   0.34395   0.03032   0.11597   0.07090    2454     167      3159
 INITIAL RATM   0.02753   0.04757   0.10512   0.07089    2454     168      3468
 INITIAL RATM   0.10823   0.08812   0.03901   0.07082    2454     169       553
 INITIAL RATM   0.44545   0.02296   0.04442   0.07079    2454     170      3754
 INITIAL RATM   0.33143   0.03242   0.04357   0.07078    2454     171      1368
 INITIAL RATM   0.38083   0.02531   0.08189   0.07065    2454     172       797
 INITIAL RATM   0.08500   0.06108   0.07384   0.07058    2454     173       128
 INITIAL RATM   0.48942   0.03256   0.05389   0.07057    2454     174      1571
 INITIAL RATM   0.40420   0.21317   0.08546   0.07052    2454     175      1876
 INITIAL RATM   0.05947   0.08225   0.11177   0.07052    2454     176       633
 INITIAL RATM   0.11005   0.03026   0.09211   0.07044    2454     177      1522
 INITIAL RATM   0.33514   0.02816   0.10825   0.07028    2454     178      3770
 INITIAL RATM   0.01136   0.08778   0.10953   0.07025    2454     179      2985
 INITIAL RATM   0.36519   0.05803   0.10614   0.07010    2454     180        51
 INITIAL RATM   0.44852   0.04056   0.12354   0.07010    2454     181       782
 INITIAL RATM   0.38681   0.08093   0.01023   0.07008    2454     182       291
 INITIAL RATM   0.43735   0.13924   0.04495   0.07001    2454     183       511
 INITIAL RATM   0.22209   0.09022   0.05946   0.06995    2454     184      2922
 INITIAL RATM   0.49286   0.03205   0.04615   0.06983    2454     185       561
 INITIAL RATM   0.21166   0.07729   0.05277   0.06977    2454     186      1888
 INITIAL RATM   0.13679   0.16380   0.00778   0.06975    2454     187      2042
 INITIAL RATM   0.44035   0.08308   0.10525   0.06975    2454     188      3510
 INITIAL RATM   0.02566   0.08933   0.03656   0.06966    2454     189      2400
 INITIAL RATM   0.27894   0.19877   0.10937   0.06965    2454     190      2288
 INITIAL RATM   0.38271   0.02569   0.09040   0.06956    2454     191      1785
 INITIAL RATM   0.13559   0.08006   0.05830   0.06952    2454     192       277
 INITIAL RATM   0.35858   0.05309   0.00641   0.06948    2454     193      3236
 INITIAL RATM   0.13532   0.05719   0.10934   0.06940    2454     194       316
 INITIAL RATM   0.01342   0.17639   0.04174   0.06936    2454     195       545
 INITIAL RATM   0.28875   0.07225   0.01064   0.06930    2454     196      2416
 INITIAL RATM   0.00808   0.07008   0.03479   0.06920    2454     197      3405
 INITIAL RATM   0.43703   0.13576   0.08258   0.06917    2454     198      1024
 INITIAL RATM   0.11097   0.05566   0.09056   0.06916    2454     199       241
 INITIAL RATM   0.20732   0.15219   0.00535   0.06915    2454     200      1119

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.02672   0.00663   0.00872  1.00  0.00   8   RATM    1    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.91   0.48533   0.11332 RATM    1    0    0
 R-factor & Corr for medium E      875      0.40      0.81   0.60101  -0.08034 RATM    1    0    0
 R-factor & Corr for weak   E       57      0.07      0.87   0.58221  -0.12200 RATM    1    0    0
 R-factor & Corr for extstr E    18712      1.00      0.81   0.55100   0.00000 RATM    1    0    0

 Value D =     0.977690 INIT    1    0    0

 ROmax = 145.9935 Cut top ratio =  0.10000 Cut top at    14.60*SIGRO DDM0    1    1    1

 The phase shift =   15.5922    1522 DDM0    1    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.97   0.45828   0.55691 DDM0    1    1    1
 R-factor & Corr for medium E      875      0.40      0.31   0.67145   0.02312 DDM0    1    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.72889   0.08127 DDM0    1    1    1
 R-factor & Corr for extstr E    18712      1.00      0.83   0.51825   0.00000 DDM0    1    1    1

 Value D =     0.937121 DDM0    1    1    1

 The phase shift =    0.4744    1522 DDM0    1    1   45

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.40627   0.64557 DDM0    1    1   45
 R-factor & Corr for medium E      875      0.40      0.33   0.59644  -0.01035 DDM0    1    1   45
 R-factor & Corr for weak   E       57      0.07      0.37   0.66715   0.24999 DDM0    1    1   45
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44797   0.00000 DDM0    1    1   45

 Value D =     0.587371 DDM0    1    1   45

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.01044   0.03312   0.01284  1.00  0.00   8   RATM    2    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.87   0.54955   0.11908 RATM    2    0    0
 R-factor & Corr for medium E      875      0.40      0.81   0.60446   0.03799 RATM    2    0    0
 R-factor & Corr for weak   E       57      0.07      0.73   0.65350  -0.07300 RATM    2    0    0
 R-factor & Corr for extstr E    18712      1.00      0.81   0.52306   0.00000 RATM    2    0    0

 Value D =     0.870648 INIT    2    0    0

 ROmax = 139.7381 Cut top ratio =  0.10000 Cut top at    13.97*SIGRO DDM0    2    1    1

 The phase shift =   21.6961    1522 DDM0    2    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.49102   0.49456 DDM0    2    1    1
 R-factor & Corr for medium E      875      0.40      0.32   0.64670   0.02506 DDM0    2    1    1
 R-factor & Corr for weak   E       57      0.07      0.37   0.63702   0.08562 DDM0    2    1    1
 R-factor & Corr for extstr E    18712      1.00      0.84   0.50890   0.00000 DDM0    2    1    1

 Value D =     0.838950 DDM0    2    1    1

 The phase shift =    0.4975    1522 DDM0    2    1   38

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38256   0.65307 DDM0    2    1   38
 R-factor & Corr for medium E      875      0.40      0.34   0.55236   0.05998 DDM0    2    1   38
 R-factor & Corr for weak   E       57      0.07      0.42   0.53544   0.19036 DDM0    2    1   38
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45115   0.00000 DDM0    2    1   38

 Value D =     0.534055 DDM0    2    1   38

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.44483   0.02925   0.03976  1.00  0.00   8   RATM    3    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.87   0.52345   0.08472 RATM    3    0    0
 R-factor & Corr for medium E      875      0.40      0.80   0.58454   0.04706 RATM    3    0    0
 R-factor & Corr for weak   E       57      0.07      0.76   0.62291  -0.09616 RATM    3    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45325   0.00000 RATM    3    0    0

 Value D =     0.516387 INIT    3    0    0

 ROmax = 146.0003 Cut top ratio =  0.10000 Cut top at    14.60*SIGRO DDM0    3    1    1

 The phase shift =   16.2273    1522 DDM0    3    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44430   0.53269 DDM0    3    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.57439   0.06685 DDM0    3    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.59734  -0.08741 DDM0    3    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44696   0.00000 DDM0    3    1    1

 Value D =     0.516441 DDM0    3    1    1

 The phase shift =    0.4785    1522 DDM0    3    1   45

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38683   0.66306 DDM0    3    1   45
 R-factor & Corr for medium E      875      0.40      0.34   0.54282   0.05372 DDM0    3    1   45
 R-factor & Corr for weak   E       57      0.07      0.41   0.62538   0.15790 DDM0    3    1   45
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44083   0.00000 DDM0    3    1   45

 Value D =     0.511828 DDM0    3    1   45

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.06157   0.08051   0.05248  1.00  0.00   8   RATM    4    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52438   0.09336 RATM    4    0    0
 R-factor & Corr for medium E      875      0.40      0.83   0.55550   0.04942 RATM    4    0    0
 R-factor & Corr for weak   E       57      0.07      0.65   0.60703   0.16808 RATM    4    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43936   0.00000 RATM    4    0    0

 Value D =     0.522818 INIT    4    0    0

 ROmax = 158.2383 Cut top ratio =  0.10000 Cut top at    15.82*SIGRO DDM0    4    1    1

 The phase shift =   17.1039    1522 DDM0    4    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44579   0.53390 DDM0    4    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.55936   0.08575 DDM0    4    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.52816   0.15637 DDM0    4    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45858   0.00000 DDM0    4    1    1

 Value D =     0.522184 DDM0    4    1    1

 The phase shift =    0.4934    1522 DDM0    4    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38590   0.66581 DDM0    4    1   31
 R-factor & Corr for medium E      875      0.40      0.36   0.55228  -0.00058 DDM0    4    1   31
 R-factor & Corr for weak   E       57      0.07      0.30   0.60102   0.27413 DDM0    4    1   31
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44181   0.00000 DDM0    4    1   31

 Value D =     0.509674 DDM0    4    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.08009   0.06170   0.05249  1.00  0.00   8   RATM    5    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52289   0.09149 RATM    5    0    0
 R-factor & Corr for medium E      875      0.40      0.83   0.55441   0.05169 RATM    5    0    0
 R-factor & Corr for weak   E       57      0.07      0.66   0.61334   0.17016 RATM    5    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44166   0.00000 RATM    5    0    0

 Value D =     0.523090 INIT    5    0    0

 ROmax = 156.7929 Cut top ratio =  0.10000 Cut top at    15.68*SIGRO DDM0    5    1    1

 The phase shift =   17.6822    1522 DDM0    5    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44438   0.53985 DDM0    5    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.56020   0.08762 DDM0    5    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.52319   0.16739 DDM0    5    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45654   0.00000 DDM0    5    1    1

 Value D =     0.521105 DDM0    5    1    1

 The phase shift =    0.4933    1522 DDM0    5    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38838   0.66298 DDM0    5    1   31
 R-factor & Corr for medium E      875      0.40      0.36   0.55302  -0.00172 DDM0    5    1   31
 R-factor & Corr for weak   E       57      0.07      0.29   0.61572   0.27759 DDM0    5    1   31
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44296   0.00000 DDM0    5    1   31

 Value D =     0.510754 DDM0    5    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.44455   0.05737   0.08157  1.00  0.00   8   RATM    6    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.85   0.57886   0.07512 RATM    6    0    0
 R-factor & Corr for medium E      875      0.40      0.78   0.62232   0.04020 RATM    6    0    0
 R-factor & Corr for weak   E       57      0.07      0.58   0.73663  -0.01406 RATM    6    0    0
 R-factor & Corr for extstr E    18712      1.00      0.84   0.51563   0.00000 RATM    6    0    0

 Value D =     0.528575 INIT    6    0    0

 ROmax = 154.1379 Cut top ratio =  0.10000 Cut top at    15.41*SIGRO DDM0    6    1    1

 The phase shift =   18.0106    1522 DDM0    6    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.97   0.47525   0.48952 DDM0    6    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.58561   0.06362 DDM0    6    1    1
 R-factor & Corr for weak   E       57      0.07      0.31   0.70008  -0.09435 DDM0    6    1    1
 R-factor & Corr for extstr E    18712      1.00      0.85   0.49209   0.00000 DDM0    6    1    1

 Value D =     0.525754 DDM0    6    1    1

 The phase shift =    0.4955    1522 DDM0    6    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38812   0.66949 DDM0    6    1   31
 R-factor & Corr for medium E      875      0.40      0.35   0.56093   0.06477 DDM0    6    1   31
 R-factor & Corr for weak   E       57      0.07      0.35   0.53745   0.07755 DDM0    6    1   31
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43681   0.00000 DDM0    6    1   31

 Value D =     0.507920 DDM0    6    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.00533   0.02858   0.03993  1.00  0.00   8   RATM    7    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.48744   0.10289 RATM    7    0    0
 R-factor & Corr for medium E      875      0.40      0.84   0.55055  -0.00750 RATM    7    0    0
 R-factor & Corr for weak   E       57      0.07      0.89   0.59405  -0.16611 RATM    7    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43977   0.00000 RATM    7    0    0

 Value D =     0.571902 INIT    7    0    0

 ROmax = 140.6089 Cut top ratio =  0.10000 Cut top at    14.06*SIGRO DDM0    7    1    1

 The phase shift =   16.8056    1522 DDM0    7    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.41635   0.54396 DDM0    7    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.59877   0.00297 DDM0    7    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.57727   0.03394 DDM0    7    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45106   0.00000 DDM0    7    1    1

 Value D =     0.540548 DDM0    7    1    1

 The phase shift =    0.5000    1522 DDM0    7    1   50

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.36473   0.67117 DDM0    7    1   50
 R-factor & Corr for medium E      875      0.40      0.34   0.57017   0.00896 DDM0    7    1   50
 R-factor & Corr for weak   E       57      0.07      0.34   0.73754   0.10998 DDM0    7    1   50
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44087   0.00000 DDM0    7    1   50

 Value D =     0.513023 DDM0    7    1   50

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.03085   0.00927   0.04240  1.00  0.00   8   RATM    8    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.51885   0.08893 RATM    8    0    0
 R-factor & Corr for medium E      875      0.40      0.84   0.52131   0.06693 RATM    8    0    0
 R-factor & Corr for weak   E       57      0.07      0.79   0.54614  -0.11577 RATM    8    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44518   0.00000 RATM    8    0    0

 Value D =     0.524559 INIT    8    0    0

 ROmax = 153.9524 Cut top ratio =  0.10000 Cut top at    15.40*SIGRO DDM0    8    1    1

 The phase shift =   16.3701    1522 DDM0    8    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44643   0.52128 DDM0    8    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57861   0.02190 DDM0    8    1    1
 R-factor & Corr for weak   E       57      0.07      0.31   0.55070   0.03217 DDM0    8    1    1
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44295   0.00000 DDM0    8    1    1

 Value D =     0.523258 DDM0    8    1    1

 The phase shift =    0.4785    1522 DDM0    8    1   33

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.02   0.36696   0.65635 DDM0    8    1   33
 R-factor & Corr for medium E      875      0.40      0.35   0.55213   0.03235 DDM0    8    1   33
 R-factor & Corr for weak   E       57      0.07      0.34   0.63801   0.24194 DDM0    8    1   33
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45395   0.00000 DDM0    8    1   33

 Value D =     0.508351 DDM0    8    1   33

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41690   0.05899   0.05326  1.00  0.00   8   RATM    9    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.82   0.58204   0.11996 RATM    9    0    0
 R-factor & Corr for medium E      875      0.40      0.79   0.58798   0.04496 RATM    9    0    0
 R-factor & Corr for weak   E       57      0.07      0.62   0.66960   0.10212 RATM    9    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45595   0.00000 RATM    9    0    0

 Value D =     0.559714 INIT    9    0    0

 ROmax = 151.4643 Cut top ratio =  0.10000 Cut top at    15.15*SIGRO DDM0    9    1    1

 The phase shift =   17.5867    1522 DDM0    9    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.93   0.49622   0.50727 DDM0    9    1    1
 R-factor & Corr for medium E      875      0.40      0.33   0.60600   0.01474 DDM0    9    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.61973   0.07397 DDM0    9    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46736   0.00000 DDM0    9    1    1

 Value D =     0.549380 DDM0    9    1    1

 The phase shift =    0.4589    1522 DDM0    9    1   41

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38207   0.67765 DDM0    9    1   41
 R-factor & Corr for medium E      875      0.40      0.35   0.52653   0.08789 DDM0    9    1   41
 R-factor & Corr for weak   E       57      0.07      0.34   0.57752   0.12785 DDM0    9    1   41
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44321   0.00000 DDM0    9    1   41

 Value D =     0.510157 DDM0    9    1   41

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41695   0.05265   0.05988  1.00  0.00   8   RATM   10    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.83   0.56272   0.11521 RATM   10    0    0
 R-factor & Corr for medium E      875      0.40      0.81   0.56930   0.04734 RATM   10    0    0
 R-factor & Corr for weak   E       57      0.07      0.62   0.64700   0.10733 RATM   10    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44478   0.00000 RATM   10    0    0

 Value D =     0.534932 INIT   10    0    0

 ROmax = 143.8083 Cut top ratio =  0.10000 Cut top at    14.38*SIGRO DDM0   10    1    1

 The phase shift =   18.0004    1522 DDM0   10    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.94   0.47965   0.52934 DDM0   10    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.59275   0.01592 DDM0   10    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.60805   0.10938 DDM0   10    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45768   0.00000 DDM0   10    1    1

 Value D =     0.530817 DDM0   10    1    1

 The phase shift =    0.4876    1522 DDM0   10    1   36

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.39482   0.65069 DDM0   10    1   36
 R-factor & Corr for medium E      875      0.40      0.34   0.55775   0.05256 DDM0   10    1   36
 R-factor & Corr for weak   E       57      0.07      0.35   0.57362   0.13444 DDM0   10    1   36
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43838   0.00000 DDM0   10    1   36

 Value D =     0.511154 DDM0   10    1   36

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.39048   0.03381   0.08754  1.00  0.00   8   RATM   11    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51234   0.06525 RATM   11    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.55707   0.03660 RATM   11    0    0
 R-factor & Corr for weak   E       57      0.07      0.66   0.62697  -0.02697 RATM   11    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46067   0.00000 RATM   11    0    0

 Value D =     0.512634 INIT   11    0    0

 ROmax = 147.9254 Cut top ratio =  0.10000 Cut top at    14.79*SIGRO DDM0   11    1    1

 The phase shift =   16.1886    1522 DDM0   11    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44730   0.52153 DDM0   11    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.55700   0.07093 DDM0   11    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.63100   0.12406 DDM0   11    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45912   0.00000 DDM0   11    1    1

 Value D =     0.511094 DDM0   11    1    1

 The phase shift =    0.4187    1522 DDM0   11    1   36

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37617   0.68564 DDM0   11    1   36
 R-factor & Corr for medium E      875      0.40      0.35   0.54264   0.06501 DDM0   11    1   36
 R-factor & Corr for weak   E       57      0.07      0.28   0.69659   0.03604 DDM0   11    1   36
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43858   0.00000 DDM0   11    1   36

 Value D =     0.503898 DDM0   11    1   36

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.49001   0.03572   0.01111  1.00  0.00   8   RATM   12    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.86   0.58592   0.07760 RATM   12    0    0
 R-factor & Corr for medium E      875      0.40      0.80   0.60862   0.07082 RATM   12    0    0
 R-factor & Corr for weak   E       57      0.07      0.72   0.70554  -0.17500 RATM   12    0    0
 R-factor & Corr for extstr E    18712      1.00      0.83   0.52321   0.00000 RATM   12    0    0

 Value D =     0.533018 INIT   12    0    0

 ROmax = 150.5096 Cut top ratio =  0.10000 Cut top at    15.05*SIGRO DDM0   12    1    1

 The phase shift =   19.9876    1522 DDM0   12    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.48567   0.47612 DDM0   12    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.58503   0.01301 DDM0   12    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.55810  -0.04241 DDM0   12    1    1
 R-factor & Corr for extstr E    18712      1.00      0.85   0.48937   0.00000 DDM0   12    1    1

 Value D =     0.521785 DDM0   12    1    1

 The phase shift =    0.4268    1522 DDM0   12    1   35

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37316   0.66482 DDM0   12    1   35
 R-factor & Corr for medium E      875      0.40      0.35   0.56304   0.03063 DDM0   12    1   35
 R-factor & Corr for weak   E       57      0.07      0.36   0.61285  -0.10301 DDM0   12    1   35
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44662   0.00000 DDM0   12    1   35

 Value D =     0.506276 DDM0   12    1   35

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.48953   0.01100   0.03611  1.00  0.00   8   RATM   13    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.86   0.58757   0.07630 RATM   13    0    0
 R-factor & Corr for medium E      875      0.40      0.79   0.60977   0.07274 RATM   13    0    0
 R-factor & Corr for weak   E       57      0.07      0.71   0.71666  -0.18405 RATM   13    0    0
 R-factor & Corr for extstr E    18712      1.00      0.83   0.53555   0.00000 RATM   13    0    0

 Value D =     0.535781 INIT   13    0    0

 ROmax = 150.8964 Cut top ratio =  0.10000 Cut top at    15.09*SIGRO DDM0   13    1    1

 The phase shift =   20.9921    1522 DDM0   13    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.48492   0.47427 DDM0   13    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.58289   0.01477 DDM0   13    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.55095  -0.06036 DDM0   13    1    1
 R-factor & Corr for extstr E    18712      1.00      0.85   0.49692   0.00000 DDM0   13    1    1

 Value D =     0.523079 DDM0   13    1    1

 The phase shift =    0.4898    1522 DDM0   13    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37116   0.66627 DDM0   13    1   31
 R-factor & Corr for medium E      875      0.40      0.35   0.55212   0.02873 DDM0   13    1   31
 R-factor & Corr for weak   E       57      0.07      0.38   0.60176  -0.10132 DDM0   13    1   31
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44578   0.00000 DDM0   13    1   31

 Value D =     0.505976 DDM0   13    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.38821   0.08493   0.03269  1.00  0.00   8   RATM   14    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.50548   0.05618 RATM   14    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.54383   0.05068 RATM   14    0    0
 R-factor & Corr for weak   E       57      0.07      0.70   0.54991   0.06373 RATM   14    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46236   0.00000 RATM   14    0    0

 Value D =     0.513403 INIT   14    0    0

 ROmax = 151.7000 Cut top ratio =  0.10000 Cut top at    15.17*SIGRO DDM0   14    1    1

 The phase shift =   15.7225    1522 DDM0   14    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.43672   0.51321 DDM0   14    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54297   0.06726 DDM0   14    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.54769   0.26338 DDM0   14    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46341   0.00000 DDM0   14    1    1

 Value D =     0.511378 DDM0   14    1    1

 The phase shift =    0.4768    1522 DDM0   14    1   36

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37067   0.68375 DDM0   14    1   36
 R-factor & Corr for medium E      875      0.40      0.36   0.53260   0.06037 DDM0   14    1   36
 R-factor & Corr for weak   E       57      0.07      0.30   0.49987   0.10090 DDM0   14    1   36
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44111   0.00000 DDM0   14    1   36

 Value D =     0.503805 DDM0   14    1   36

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.02755   0.11188   0.04714  1.00  0.00   8   RATM   15    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.50203   0.05932 RATM   15    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.53566   0.06589 RATM   15    0    0
 R-factor & Corr for weak   E       57      0.07      0.84   0.57211  -0.02301 RATM   15    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46097   0.00000 RATM   15    0    0

 Value D =     0.511080 INIT   15    0    0

 ROmax = 157.6634 Cut top ratio =  0.10000 Cut top at    15.77*SIGRO DDM0   15    1    1

 The phase shift =   15.1304    1522 DDM0   15    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.41463   0.52375 DDM0   15    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57315   0.03219 DDM0   15    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.63207   0.02248 DDM0   15    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45724   0.00000 DDM0   15    1    1

 Value D =     0.509882 DDM0   15    1    1

 The phase shift =    0.4930    1522 DDM0   15    1   32

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.02   0.36564   0.64679 DDM0   15    1   32
 R-factor & Corr for medium E      875      0.40      0.36   0.53412   0.07245 DDM0   15    1   32
 R-factor & Corr for weak   E       57      0.07      0.30   0.60722   0.30695 DDM0   15    1   32
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44424   0.00000 DDM0   15    1   32

 Value D =     0.503462 DDM0   15    1   32

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.02793   0.04692   0.11155  1.00  0.00   8   RATM   16    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.50254   0.05829 RATM   16    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.53379   0.06073 RATM   16    0    0
 R-factor & Corr for weak   E       57      0.07      0.84   0.56764  -0.01400 RATM   16    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46116   0.00000 RATM   16    0    0

 Value D =     0.510841 INIT   16    0    0

 ROmax = 157.1978 Cut top ratio =  0.10000 Cut top at    15.72*SIGRO DDM0   16    1    1

 The phase shift =   15.4705    1522 DDM0   16    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.41525   0.52460 DDM0   16    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57078   0.03171 DDM0   16    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.63031   0.01998 DDM0   16    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45997   0.00000 DDM0   16    1    1

 Value D =     0.509773 DDM0   16    1    1

 The phase shift =    0.4477    1522 DDM0   16    1   37

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.02   0.36391   0.65241 DDM0   16    1   37
 R-factor & Corr for medium E      875      0.40      0.36   0.52981   0.06154 DDM0   16    1   37
 R-factor & Corr for weak   E       57      0.07      0.28   0.62084   0.24191 DDM0   16    1   37
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44317   0.00000 DDM0   16    1   37

 Value D =     0.503295 DDM0   16    1   37

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.05602   0.02930   0.03858  1.00  0.00   8   RATM   17    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52519   0.09330 RATM   17    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.58923  -0.01746 RATM   17    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.70580  -0.07058 RATM   17    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44676   0.00000 RATM   17    0    0

 Value D =     0.527569 INIT   17    0    0

 ROmax = 148.1250 Cut top ratio =  0.10000 Cut top at    14.81*SIGRO DDM0   17    1    1

 The phase shift =   18.1352    1522 DDM0   17    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.43685   0.54176 DDM0   17    1    1
 R-factor & Corr for medium E      875      0.40      0.33   0.61349  -0.01620 DDM0   17    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.65420  -0.07454 DDM0   17    1    1
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44229   0.00000 DDM0   17    1    1

 Value D =     0.520856 DDM0   17    1    1

 The phase shift =    0.4802    1522 DDM0   17    1   41

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37998   0.67413 DDM0   17    1   41
 R-factor & Corr for medium E      875      0.40      0.34   0.55106   0.03052 DDM0   17    1   41
 R-factor & Corr for weak   E       57      0.07      0.41   0.54425   0.26596 DDM0   17    1   41
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43956   0.00000 DDM0   17    1   41

 Value D =     0.512378 DDM0   17    1   41

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.03897   0.02917   0.05585  1.00  0.00   8   RATM   18    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52217   0.08970 RATM   18    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.58389  -0.01305 RATM   18    0    0
 R-factor & Corr for weak   E       57      0.07      0.75   0.68564  -0.06480 RATM   18    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45142   0.00000 RATM   18    0    0

 Value D =     0.525223 INIT   18    0    0

 ROmax = 144.0997 Cut top ratio =  0.10000 Cut top at    14.41*SIGRO DDM0   18    1    1

 The phase shift =   18.4128    1522 DDM0   18    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.43489   0.54481 DDM0   18    1    1
 R-factor & Corr for medium E      875      0.40      0.33   0.60722  -0.01563 DDM0   18    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.64497  -0.07595 DDM0   18    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44465   0.00000 DDM0   18    1    1

 Value D =     0.519358 DDM0   18    1    1

 The phase shift =    0.4544    1522 DDM0   18    1   46

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37642   0.67510 DDM0   18    1   46
 R-factor & Corr for medium E      875      0.40      0.34   0.55143   0.01759 DDM0   18    1   46
 R-factor & Corr for weak   E       57      0.07      0.41   0.54640   0.24826 DDM0   18    1   46
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43676   0.00000 DDM0   18    1   46

 Value D =     0.510858 DDM0   18    1   46

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.08417   0.05709   0.07514  1.00  0.00   8   RATM   19    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52105   0.06459 RATM   19    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56680   0.03960 RATM   19    0    0
 R-factor & Corr for weak   E       57      0.07      0.73   0.70356  -0.02782 RATM   19    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44139   0.00000 RATM   19    0    0

 Value D =     0.524006 INIT   19    0    0

 ROmax = 152.9370 Cut top ratio =  0.10000 Cut top at    15.29*SIGRO DDM0   19    1    1

 The phase shift =   17.1001    1522 DDM0   19    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.46250   0.51103 DDM0   19    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.58390   0.07338 DDM0   19    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.69531  -0.05608 DDM0   19    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44705   0.00000 DDM0   19    1    1

 Value D =     0.521433 DDM0   19    1    1

 The phase shift =    0.4956    1522 DDM0   19    1   29

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38421   0.65944 DDM0   19    1   29
 R-factor & Corr for medium E      875      0.40      0.35   0.54934   0.05674 DDM0   19    1   29
 R-factor & Corr for weak   E       57      0.07      0.29   0.61621   0.05932 DDM0   19    1   29
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43881   0.00000 DDM0   19    1   29

 Value D =     0.512304 DDM0   19    1   29

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.05670   0.08436   0.07518  1.00  0.00   8   RATM   20    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52192   0.06403 RATM   20    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56630   0.04132 RATM   20    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.67875  -0.01507 RATM   20    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44211   0.00000 RATM   20    0    0

 Value D =     0.522607 INIT   20    0    0

 ROmax = 151.9235 Cut top ratio =  0.10000 Cut top at    15.19*SIGRO DDM0   20    1    1

 The phase shift =   17.6925    1522 DDM0   20    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.46169   0.51371 DDM0   20    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.58501   0.07577 DDM0   20    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.68345  -0.05348 DDM0   20    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44741   0.00000 DDM0   20    1    1

 Value D =     0.521532 DDM0   20    1    1

 The phase shift =    0.4708    1522 DDM0   20    1   28

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38073   0.65870 DDM0   20    1   28
 R-factor & Corr for medium E      875      0.40      0.35   0.54852   0.05904 DDM0   20    1   28
 R-factor & Corr for weak   E       57      0.07      0.28   0.63137   0.06172 DDM0   20    1   28
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43768   0.00000 DDM0   20    1   28

 Value D =     0.512287 DDM0   20    1   28

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41392   0.05873   0.11070  1.00  0.00   8   RATM   21    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52829   0.07164 RATM   21    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.53803   0.09629 RATM   21    0    0
 R-factor & Corr for weak   E       57      0.07      0.76   0.51364   0.16987 RATM   21    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45437   0.00000 RATM   21    0    0

 Value D =     0.512437 INIT   21    0    0

 ROmax = 151.4403 Cut top ratio =  0.10000 Cut top at    15.14*SIGRO DDM0   21    1    1

 The phase shift =   16.3597    1522 DDM0   21    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.97   0.44377   0.52704 DDM0   21    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57037   0.04152 DDM0   21    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.54002   0.18670 DDM0   21    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45798   0.00000 DDM0   21    1    1

 Value D =     0.509861 DDM0   21    1    1

 The phase shift =    0.4744    1522 DDM0   21    1   48

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37667   0.68049 DDM0   21    1   48
 R-factor & Corr for medium E      875      0.40      0.35   0.54998   0.05683 DDM0   21    1   48
 R-factor & Corr for weak   E       57      0.07      0.35   0.51732   0.29496 DDM0   21    1   48
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43565   0.00000 DDM0   21    1   48

 Value D =     0.503649 DDM0   21    1   48

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41424   0.11126   0.05860  1.00  0.00   8   RATM   22    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.87   0.52940   0.06861 RATM   22    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.54157   0.09920 RATM   22    0    0
 R-factor & Corr for weak   E       57      0.07      0.76   0.51401   0.18712 RATM   22    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45538   0.00000 RATM   22    0    0

 Value D =     0.512609 INIT   22    0    0

 ROmax = 157.2007 Cut top ratio =  0.10000 Cut top at    15.72*SIGRO DDM0   22    1    1

 The phase shift =   16.1415    1522 DDM0   22    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44302   0.51282 DDM0   22    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.56437   0.04347 DDM0   22    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.53424   0.20037 DDM0   22    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45928   0.00000 DDM0   22    1    1

 Value D =     0.510420 DDM0   22    1    1

 The phase shift =    0.4829    1522 DDM0   22    1   41

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.37960   0.66777 DDM0   22    1   41
 R-factor & Corr for medium E      875      0.40      0.35   0.54951   0.04682 DDM0   22    1   41
 R-factor & Corr for weak   E       57      0.07      0.37   0.51660   0.28377 DDM0   22    1   41
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43601   0.00000 DDM0   22    1   41

 Value D =     0.503301 DDM0   22    1   41

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41347   0.22347   0.11300  1.00  0.00   8   RATM   23    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51801   0.09680 RATM   23    0    0
 R-factor & Corr for medium E      875      0.40      0.84   0.54500   0.01215 RATM   23    0    0
 R-factor & Corr for weak   E       57      0.07      0.69   0.59482   0.10984 RATM   23    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46242   0.00000 RATM   23    0    0

 Value D =     0.512790 INIT   23    0    0

 ROmax = 143.9643 Cut top ratio =  0.10000 Cut top at    14.40*SIGRO DDM0   23    1    1

 The phase shift =   16.2521    1522 DDM0   23    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44578   0.54162 DDM0   23    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.58074   0.00144 DDM0   23    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.62634   0.13737 DDM0   23    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45678   0.00000 DDM0   23    1    1

 Value D =     0.510913 DDM0   23    1    1

 The phase shift =    0.4432    1522 DDM0   23    1   38

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38490   0.63191 DDM0   23    1   38
 R-factor & Corr for medium E      875      0.40      0.35   0.55233  -0.00432 DDM0   23    1   38
 R-factor & Corr for weak   E       57      0.07      0.36   0.55141   0.00104 DDM0   23    1   38
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44023   0.00000 DDM0   23    1   38

 Value D =     0.504171 DDM0   23    1   38

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.32651   0.15218   0.03864  1.00  0.00   8   RATM   24    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.53945   0.02855 RATM   24    0    0
 R-factor & Corr for medium E      875      0.40      0.81   0.56771  -0.00088 RATM   24    0    0
 R-factor & Corr for weak   E       57      0.07      0.68   0.49096   0.34971 RATM   24    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46435   0.00000 RATM   24    0    0

 Value D =     0.513373 INIT   24    0    0

 ROmax = 154.1895 Cut top ratio =  0.10000 Cut top at    15.42*SIGRO DDM0   24    1    1

 The phase shift =   15.6831    1522 DDM0   24    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.45012   0.47092 DDM0   24    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.56245   0.01893 DDM0   24    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.52746   0.34818 DDM0   24    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46162   0.00000 DDM0   24    1    1

 Value D =     0.511247 DDM0   24    1    1

 The phase shift =    0.4404    1522 DDM0   24    1   63

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37686   0.67045 DDM0   24    1   63
 R-factor & Corr for medium E      875      0.40      0.35   0.56529  -0.01515 DDM0   24    1   63
 R-factor & Corr for weak   E       57      0.07      0.30   0.55910   0.31507 DDM0   24    1   63
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43537   0.00000 DDM0   24    1   63

 Value D =     0.503279 DDM0   24    1   63

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.19842   0.24812   0.11073  1.00  0.00   8   RATM   25    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52137   0.07661 RATM   25    0    0
 R-factor & Corr for medium E      875      0.40      0.80   0.56625   0.02198 RATM   25    0    0
 R-factor & Corr for weak   E       57      0.07      0.91   0.63013  -0.02117 RATM   25    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45639   0.00000 RATM   25    0    0

 Value D =     0.521625 INIT   25    0    0

 ROmax = 143.6610 Cut top ratio =  0.10000 Cut top at    14.37*SIGRO DDM0   25    1    1

 The phase shift =   17.4237    1522 DDM0   25    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44477   0.52625 DDM0   25    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.55798   0.03707 DDM0   25    1    1
 R-factor & Corr for weak   E       57      0.07      0.36   0.60248   0.12554 DDM0   25    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45574   0.00000 DDM0   25    1    1

 Value D =     0.519625 DDM0   25    1    1

 The phase shift =    0.4899    1522 DDM0   25    1   35

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38913   0.66217 DDM0   25    1   35
 R-factor & Corr for medium E      875      0.40      0.34   0.55269   0.03811 DDM0   25    1   35
 R-factor & Corr for weak   E       57      0.07      0.39   0.61667   0.11356 DDM0   25    1   35
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43628   0.00000 DDM0   25    1   35

 Value D =     0.506104 DDM0   25    1   35

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.24821   0.19855   0.11071  1.00  0.00   8   RATM   26    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52156   0.07714 RATM   26    0    0
 R-factor & Corr for medium E      875      0.40      0.80   0.56689   0.02182 RATM   26    0    0
 R-factor & Corr for weak   E       57      0.07      0.91   0.62886  -0.02158 RATM   26    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45710   0.00000 RATM   26    0    0

 Value D =     0.522095 INIT   26    0    0

 ROmax = 145.6989 Cut top ratio =  0.10000 Cut top at    14.57*SIGRO DDM0   26    1    1

 The phase shift =   17.3658    1522 DDM0   26    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44468   0.52384 DDM0   26    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.55747   0.03571 DDM0   26    1    1
 R-factor & Corr for weak   E       57      0.07      0.36   0.60461   0.12255 DDM0   26    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45603   0.00000 DDM0   26    1    1

 Value D =     0.520010 DDM0   26    1    1

 The phase shift =    0.4656    1522 DDM0   26    1   35

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38955   0.66083 DDM0   26    1   35
 R-factor & Corr for medium E      875      0.40      0.34   0.55258   0.03742 DDM0   26    1   35
 R-factor & Corr for weak   E       57      0.07      0.39   0.61721   0.10724 DDM0   26    1   35
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43609   0.00000 DDM0   26    1   35

 Value D =     0.506018 DDM0   26    1   35

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.06817   0.04777   0.01021  1.00  0.00   8   RATM   27    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.90   0.50858   0.02663 RATM   27    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.54971   0.03764 RATM   27    0    0
 R-factor & Corr for weak   E       57      0.07      0.73   0.59113   0.18122 RATM   27    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46020   0.00000 RATM   27    0    0

 Value D =     0.514248 INIT   27    0    0

 ROmax = 144.5007 Cut top ratio =  0.10000 Cut top at    14.45*SIGRO DDM0   27    1    1

 The phase shift =   16.2740    1522 DDM0   27    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.41691   0.49925 DDM0   27    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57751   0.03774 DDM0   27    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.61933   0.02252 DDM0   27    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45285   0.00000 DDM0   27    1    1

 Value D =     0.511969 DDM0   27    1    1

 The phase shift =    0.4675    1522 DDM0   27    1   34

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37799   0.63682 DDM0   27    1   34
 R-factor & Corr for medium E      875      0.40      0.35   0.56969   0.01067 DDM0   27    1   34
 R-factor & Corr for weak   E       57      0.07      0.36   0.55843   0.08718 DDM0   27    1   34
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44784   0.00000 DDM0   27    1   34

 Value D =     0.505570 DDM0   27    1   34

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.04840   0.06858   0.00999  1.00  0.00   8   RATM   28    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.90   0.50732   0.02698 RATM   28    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.55074   0.03239 RATM   28    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.58563   0.17939 RATM   28    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46146   0.00000 RATM   28    0    0

 Value D =     0.514154 INIT   28    0    0

 ROmax = 146.1807 Cut top ratio =  0.10000 Cut top at    14.62*SIGRO DDM0   28    1    1

 The phase shift =   16.3927    1522 DDM0   28    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.41849   0.49367 DDM0   28    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57819   0.02995 DDM0   28    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.60787   0.02383 DDM0   28    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45196   0.00000 DDM0   28    1    1

 Value D =     0.511917 DDM0   28    1    1

 The phase shift =    0.4413    1522 DDM0   28    1   32

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.02   0.37819   0.63729 DDM0   28    1   32
 R-factor & Corr for medium E      875      0.40      0.35   0.55766   0.03273 DDM0   28    1   32
 R-factor & Corr for weak   E       57      0.07      0.36   0.59350   0.02733 DDM0   28    1   32
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45008   0.00000 DDM0   28    1   32

 Value D =     0.505681 DDM0   28    1   32

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.02908   0.02955   0.04274  1.00  0.00   8   RATM   29    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.82   0.62329   0.11505 RATM   29    0    0
 R-factor & Corr for medium E      875      0.40      0.76   0.69599   0.00089 RATM   29    0    0
 R-factor & Corr for weak   E       57      0.07      0.91   0.74770  -0.02802 RATM   29    0    0
 R-factor & Corr for extstr E    18712      1.00      0.77   0.64585   0.00000 RATM   29    0    0

 Value D =     0.958525 INIT   29    0    0

 ROmax = 153.9253 Cut top ratio =  0.10000 Cut top at    15.39*SIGRO DDM0   29    1    1

 The phase shift =   16.9341    1522 DDM0   29    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.93   0.55871   0.48115 DDM0   29    1    1
 R-factor & Corr for medium E      875      0.40      0.31   0.71568   0.03206 DDM0   29    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.71181  -0.12256 DDM0   29    1    1
 R-factor & Corr for extstr E    18712      1.00      0.80   0.59167   0.00000 DDM0   29    1    1

 Value D =     0.935920 DDM0   29    1    1

 The phase shift =    0.4754    1522 DDM0   29    1   45

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.39850   0.65717 DDM0   29    1   45
 R-factor & Corr for medium E      875      0.40      0.34   0.56028   0.06152 DDM0   29    1   45
 R-factor & Corr for weak   E       57      0.07      0.36   0.69029  -0.22997 DDM0   29    1   45
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45180   0.00000 DDM0   29    1   45

 Value D =     0.547210 DDM0   29    1   45

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.00759   0.04933   0.02939  1.00  0.00   8   RATM   30    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.90   0.47285   0.09164 RATM   30    0    0
 R-factor & Corr for medium E      875      0.40      0.86   0.52774  -0.02101 RATM   30    0    0
 R-factor & Corr for weak   E       57      0.07      0.87   0.55448  -0.02592 RATM   30    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45444   0.00000 RATM   30    0    0

 Value D =     0.518331 INIT   30    0    0

 ROmax = 155.1148 Cut top ratio =  0.10000 Cut top at    15.51*SIGRO DDM0   30    1    1

 The phase shift =   17.2517    1522 DDM0   30    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.40521   0.52946 DDM0   30    1    1
 R-factor & Corr for medium E      875      0.40      0.36   0.51925   0.06782 DDM0   30    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.57027  -0.10972 DDM0   30    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45081   0.00000 DDM0   30    1    1

 Value D =     0.516010 DDM0   30    1    1

 The phase shift =    0.4521    1522 DDM0   30    1   30

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38784   0.64991 DDM0   30    1   30
 R-factor & Corr for medium E      875      0.40      0.36   0.54276   0.04028 DDM0   30    1   30
 R-factor & Corr for weak   E       57      0.07      0.28   0.56543   0.28459 DDM0   30    1   30
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44776   0.00000 DDM0   30    1   30

 Value D =     0.509259 DDM0   30    1   30

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.04942   0.00737   0.02904  1.00  0.00   8   RATM   31    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.90   0.46998   0.09461 RATM   31    0    0
 R-factor & Corr for medium E      875      0.40      0.86   0.52620  -0.02937 RATM   31    0    0
 R-factor & Corr for weak   E       57      0.07      0.88   0.55429  -0.02117 RATM   31    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46395   0.00000 RATM   31    0    0

 Value D =     0.519166 INIT   31    0    0

 ROmax = 152.0264 Cut top ratio =  0.10000 Cut top at    15.20*SIGRO DDM0   31    1    1

 The phase shift =   17.4567    1522 DDM0   31    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.40693   0.53523 DDM0   31    1    1
 R-factor & Corr for medium E      875      0.40      0.36   0.52304   0.06232 DDM0   31    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.58963  -0.11026 DDM0   31    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45289   0.00000 DDM0   31    1    1

 Value D =     0.515967 DDM0   31    1    1

 The phase shift =    0.4470    1522 DDM0   31    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38849   0.64909 DDM0   31    1   31
 R-factor & Corr for medium E      875      0.40      0.36   0.54818   0.03572 DDM0   31    1   31
 R-factor & Corr for weak   E       57      0.07      0.28   0.58813   0.27424 DDM0   31    1   31
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44834   0.00000 DDM0   31    1   31

 Value D =     0.509756 DDM0   31    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.44303   0.03960   0.07922  1.00  0.00   8   RATM   32    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51986   0.02304 RATM   32    0    0
 R-factor & Corr for medium E      875      0.40      0.79   0.56344   0.07028 RATM   32    0    0
 R-factor & Corr for weak   E       57      0.07      0.86   0.56351   0.02315 RATM   32    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46289   0.00000 RATM   32    0    0

 Value D =     0.512374 INIT   32    0    0

 ROmax = 149.9329 Cut top ratio =  0.10000 Cut top at    14.99*SIGRO DDM0   32    1    1

 The phase shift =   16.9994    1522 DDM0   32    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.43015   0.52594 DDM0   32    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.51861   0.12593 DDM0   32    1    1
 R-factor & Corr for weak   E       57      0.07      0.38   0.60753  -0.00389 DDM0   32    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46243   0.00000 DDM0   32    1    1

 Value D =     0.510843 DDM0   32    1    1

 The phase shift =    0.4804    1522 DDM0   32    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37185   0.66592 DDM0   32    1   31
 R-factor & Corr for medium E      875      0.40      0.35   0.52379   0.05204 DDM0   32    1   31
 R-factor & Corr for weak   E       57      0.07      0.41   0.60962  -0.01209 DDM0   32    1   31
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43625   0.00000 DDM0   32    1   31

 Value D =     0.504674 DDM0   32    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.44363   0.07875   0.03955  1.00  0.00   8   RATM   33    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51902   0.02239 RATM   33    0    0
 R-factor & Corr for medium E      875      0.40      0.79   0.55900   0.07214 RATM   33    0    0
 R-factor & Corr for weak   E       57      0.07      0.87   0.55083   0.04052 RATM   33    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46313   0.00000 RATM   33    0    0

 Value D =     0.512330 INIT   33    0    0

 ROmax = 143.6219 Cut top ratio =  0.10000 Cut top at    14.36*SIGRO DDM0   33    1    1

 The phase shift =   17.3074    1522 DDM0   33    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.42626   0.53946 DDM0   33    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.51700   0.12984 DDM0   33    1    1
 R-factor & Corr for weak   E       57      0.07      0.38   0.58326   0.03178 DDM0   33    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46376   0.00000 DDM0   33    1    1

 Value D =     0.510736 DDM0   33    1    1

 The phase shift =    0.4782    1522 DDM0   33    1   32

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.02   0.36322   0.67247 DDM0   33    1   32
 R-factor & Corr for medium E      875      0.40      0.34   0.53690   0.05984 DDM0   33    1   32
 R-factor & Corr for weak   E       57      0.07      0.43   0.58489  -0.00523 DDM0   33    1   32
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43518   0.00000 DDM0   33    1   32

 Value D =     0.504972 DDM0   33    1   32

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.38348   0.19221   0.08550  1.00  0.00   8   RATM   34    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52679   0.06459 RATM   34    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56151   0.03053 RATM   34    0    0
 R-factor & Corr for weak   E       57      0.07      0.77   0.61613   0.11172 RATM   34    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46731   0.00000 RATM   34    0    0

 Value D =     0.513428 INIT   34    0    0

 ROmax = 157.3590 Cut top ratio =  0.10000 Cut top at    15.74*SIGRO DDM0   34    1    1

 The phase shift =   17.9209    1522 DDM0   34    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.42818   0.51729 DDM0   34    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.57201   0.01708 DDM0   34    1    1
 R-factor & Corr for weak   E       57      0.07      0.36   0.58638   0.03453 DDM0   34    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46186   0.00000 DDM0   34    1    1

 Value D =     0.511296 DDM0   34    1    1

 The phase shift =    0.4875    1522 DDM0   34    1   39

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38308   0.66545 DDM0   34    1   39
 R-factor & Corr for medium E      875      0.40      0.35   0.54399   0.03153 DDM0   34    1   39
 R-factor & Corr for weak   E       57      0.07      0.36   0.54330   0.13798 DDM0   34    1   39
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43688   0.00000 DDM0   34    1   39

 Value D =     0.503667 DDM0   34    1   39

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.44303   0.19386   0.08563  1.00  0.00   8   RATM   35    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52054   0.05996 RATM   35    0    0
 R-factor & Corr for medium E      875      0.40      0.81   0.56706   0.00218 RATM   35    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.53586   0.25457 RATM   35    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46539   0.00000 RATM   35    0    0

 Value D =     0.512872 INIT   35    0    0

 ROmax = 150.9167 Cut top ratio =  0.10000 Cut top at    15.09*SIGRO DDM0   35    1    1

 The phase shift =   16.3565    1522 DDM0   35    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44547   0.49830 DDM0   35    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.56531  -0.00120 DDM0   35    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.62161   0.11131 DDM0   35    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45781   0.00000 DDM0   35    1    1

 Value D =     0.511008 DDM0   35    1    1

 The phase shift =    0.4910    1522 DDM0   35    1   38

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38514   0.66728 DDM0   35    1   38
 R-factor & Corr for medium E      875      0.40      0.35   0.54457   0.02655 DDM0   35    1   38
 R-factor & Corr for weak   E       57      0.07      0.36   0.47473   0.22262 DDM0   35    1   38
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43704   0.00000 DDM0   35    1   38

 Value D =     0.504736 DDM0   35    1   38

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.03876   0.01480   0.03296  1.00  0.00   8   RATM   36    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.87   0.53473   0.07781 RATM   36    0    0
 R-factor & Corr for medium E      875      0.40      0.83   0.58247   0.05347 RATM   36    0    0
 R-factor & Corr for weak   E       57      0.07      0.79   0.61550  -0.03730 RATM   36    0    0
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44852   0.00000 RATM   36    0    0

 Value D =     0.574297 INIT   36    0    0

 ROmax = 151.1526 Cut top ratio =  0.10000 Cut top at    15.12*SIGRO DDM0   36    1    1

 The phase shift =   16.4827    1522 DDM0   36    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.46958   0.49680 DDM0   36    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57050   0.05868 DDM0   36    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.56751  -0.11840 DDM0   36    1    1
 R-factor & Corr for extstr E    18712      1.00      0.88   0.42629   0.00000 DDM0   36    1    1

 Value D =     0.560040 DDM0   36    1    1

 The phase shift =    0.4925    1522 DDM0   36    1   40

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37036   0.67827 DDM0   36    1   40
 R-factor & Corr for medium E      875      0.40      0.35   0.54569   0.03209 DDM0   36    1   40
 R-factor & Corr for weak   E       57      0.07      0.32   0.58518   0.16313 DDM0   36    1   40
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43389   0.00000 DDM0   36    1   40

 Value D =     0.510678 DDM0   36    1   40

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.38887   0.22506   0.08859  1.00  0.00   8   RATM   37    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51809   0.05799 RATM   37    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.54484   0.04470 RATM   37    0    0
 R-factor & Corr for weak   E       57      0.07      0.76   0.57730   0.15968 RATM   37    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46118   0.00000 RATM   37    0    0

 Value D =     0.513234 INIT   37    0    0

 ROmax = 152.5022 Cut top ratio =  0.10000 Cut top at    15.25*SIGRO DDM0   37    1    1

 The phase shift =   16.9058    1522 DDM0   37    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44294   0.50869 DDM0   37    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.56312   0.04221 DDM0   37    1    1
 R-factor & Corr for weak   E       57      0.07      0.35   0.67400   0.01993 DDM0   37    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45566   0.00000 DDM0   37    1    1

 Value D =     0.511648 DDM0   37    1    1

 The phase shift =    0.4845    1522 DDM0   37    1   42

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37251   0.67205 DDM0   37    1   42
 R-factor & Corr for medium E      875      0.40      0.35   0.53014   0.04761 DDM0   37    1   42
 R-factor & Corr for weak   E       57      0.07      0.40   0.63372   0.03345 DDM0   37    1   42
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43932   0.00000 DDM0   37    1   42

 Value D =     0.504159 DDM0   37    1   42

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.03974   0.08098   0.02619  1.00  0.00   8   RATM   38    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.51530   0.04206 RATM   38    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.52255   0.10775 RATM   38    0    0
 R-factor & Corr for weak   E       57      0.07      0.87   0.57704  -0.16834 RATM   38    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.48096   0.00000 RATM   38    0    0

 Value D =     0.514206 INIT   38    0    0

 ROmax = 156.9046 Cut top ratio =  0.10000 Cut top at    15.69*SIGRO DDM0   38    1    1

 The phase shift =   17.7515    1522 DDM0   38    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.45205   0.47891 DDM0   38    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.55461   0.08648 DDM0   38    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.61757  -0.08089 DDM0   38    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46135   0.00000 DDM0   38    1    1

 Value D =     0.513036 DDM0   38    1    1

 The phase shift =    0.4789    1522 DDM0   38    1   40

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.36661   0.65811 DDM0   38    1   40
 R-factor & Corr for medium E      875      0.40      0.35   0.54956   0.05651 DDM0   38    1   40
 R-factor & Corr for weak   E       57      0.07      0.34   0.69590  -0.07743 DDM0   38    1   40
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43917   0.00000 DDM0   38    1   40

 Value D =     0.509318 DDM0   38    1   40

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.04008   0.02679   0.08034  1.00  0.00   8   RATM   39    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.51762   0.04128 RATM   39    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.52567   0.11167 RATM   39    0    0
 R-factor & Corr for weak   E       57      0.07      0.86   0.57334  -0.16523 RATM   39    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.48840   0.00000 RATM   39    0    0

 Value D =     0.514266 INIT   39    0    0

 ROmax = 154.9873 Cut top ratio =  0.10000 Cut top at    15.50*SIGRO DDM0   39    1    1

 The phase shift =   18.0892    1522 DDM0   39    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.45187   0.48212 DDM0   39    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.55687   0.08534 DDM0   39    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.61189  -0.09783 DDM0   39    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46273   0.00000 DDM0   39    1    1

 Value D =     0.513525 DDM0   39    1    1

 The phase shift =    0.4895    1522 DDM0   39    1   38

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37029   0.65840 DDM0   39    1   38
 R-factor & Corr for medium E      875      0.40      0.35   0.52803   0.08096 DDM0   39    1   38
 R-factor & Corr for weak   E       57      0.07      0.34   0.63725  -0.10041 DDM0   39    1   38
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43772   0.00000 DDM0   39    1   38

 Value D =     0.508367 DDM0   39    1   38

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.36553   0.24104   0.11286  1.00  0.00   8   RATM   40    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52934   0.04162 RATM   40    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.55823   0.04651 RATM   40    0    0
 R-factor & Corr for weak   E       57      0.07      0.72   0.61558  -0.09352 RATM   40    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45636   0.00000 RATM   40    0    0

 Value D =     0.512994 INIT   40    0    0

 ROmax = 152.6390 Cut top ratio =  0.10000 Cut top at    15.26*SIGRO DDM0   40    1    1

 The phase shift =   16.9526    1522 DDM0   40    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.43256   0.52015 DDM0   40    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.53973   0.03252 DDM0   40    1    1
 R-factor & Corr for weak   E       57      0.07      0.31   0.63552  -0.08820 DDM0   40    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45085   0.00000 DDM0   40    1    1

 Value D =     0.511201 DDM0   40    1    1

 The phase shift =    0.4792    1522 DDM0   40    1   32

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38208   0.65144 DDM0   40    1   32
 R-factor & Corr for medium E      875      0.40      0.36   0.53573  -0.01600 DDM0   40    1   32
 R-factor & Corr for weak   E       57      0.07      0.32   0.57229  -0.00106 DDM0   40    1   32
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44229   0.00000 DDM0   40    1   32

 Value D =     0.504194 DDM0   40    1   32

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41500   0.19092   0.11302  1.00  0.00   8   RATM   41    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.52673   0.04456 RATM   41    0    0
 R-factor & Corr for medium E      875      0.40      0.80   0.57503  -0.01513 RATM   41    0    0
 R-factor & Corr for weak   E       57      0.07      0.69   0.58457   0.13625 RATM   41    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45506   0.00000 RATM   41    0    0

 Value D =     0.514887 INIT   41    0    0

 ROmax = 150.5753 Cut top ratio =  0.10000 Cut top at    15.06*SIGRO DDM0   41    1    1

 The phase shift =   16.6341    1522 DDM0   41    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.42983   0.48893 DDM0   41    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.57372  -0.00369 DDM0   41    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.54395  -0.03438 DDM0   41    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45527   0.00000 DDM0   41    1    1

 Value D =     0.512042 DDM0   41    1    1

 The phase shift =    0.4845    1522 DDM0   41    1   48

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38519   0.62237 DDM0   41    1   48
 R-factor & Corr for medium E      875      0.40      0.35   0.55209   0.03836 DDM0   41    1   48
 R-factor & Corr for weak   E       57      0.07      0.32   0.63166   0.15088 DDM0   41    1   48
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43807   0.00000 DDM0   41    1   48

 Value D =     0.503532 DDM0   41    1   48

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.39303   0.08363   0.05714  1.00  0.00   8   RATM   42    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.53088   0.05559 RATM   42    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56686  -0.01156 RATM   42    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.61842  -0.01685 RATM   42    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45588   0.00000 RATM   42    0    0

 Value D =     0.512264 INIT   42    0    0

 ROmax = 158.5736 Cut top ratio =  0.10000 Cut top at    15.86*SIGRO DDM0   42    1    1

 The phase shift =   14.3297    1522 DDM0   42    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.45111   0.50113 DDM0   42    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54444   0.01608 DDM0   42    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.67437   0.01308 DDM0   42    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45726   0.00000 DDM0   42    1    1

 Value D =     0.511261 DDM0   42    1    1

 The phase shift =    0.4953    1522 DDM0   42    1   32

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.36696   0.67668 DDM0   42    1   32
 R-factor & Corr for medium E      875      0.40      0.35   0.54486  -0.03998 DDM0   42    1   32
 R-factor & Corr for weak   E       57      0.07      0.33   0.59720   0.05033 DDM0   42    1   32
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44158   0.00000 DDM0   42    1   32

 Value D =     0.504773 DDM0   42    1   32

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.39235   0.05740   0.08394  1.00  0.00   8   RATM   43    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.53379   0.05646 RATM   43    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56500  -0.00356 RATM   43    0    0
 R-factor & Corr for weak   E       57      0.07      0.75   0.60559  -0.03325 RATM   43    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45827   0.00000 RATM   43    0    0

 Value D =     0.512571 INIT   43    0    0

 ROmax = 162.7678 Cut top ratio =  0.10000 Cut top at    16.28*SIGRO DDM0   43    1    1

 The phase shift =   13.9637    1522 DDM0   43    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.45000   0.48976 DDM0   43    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54309   0.01860 DDM0   43    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.65581   0.01005 DDM0   43    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45946   0.00000 DDM0   43    1    1

 Value D =     0.511412 DDM0   43    1    1

 The phase shift =    0.4787    1522 DDM0   43    1   54

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.36991   0.67779 DDM0   43    1   54
 R-factor & Corr for medium E      875      0.40      0.35   0.55432  -0.00978 DDM0   43    1   54
 R-factor & Corr for weak   E       57      0.07      0.33   0.61893   0.14343 DDM0   43    1   54
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43658   0.00000 DDM0   43    1   54

 Value D =     0.504056 DDM0   43    1   54

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.40026   0.24174   0.12208  1.00  0.00   8   RATM   44    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.50920   0.07318 RATM   44    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.57373  -0.02949 RATM   44    0    0
 R-factor & Corr for weak   E       57      0.07      0.80   0.63324  -0.08731 RATM   44    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45485   0.00000 RATM   44    0    0

 Value D =     0.511895 INIT   44    0    0

 ROmax = 159.1857 Cut top ratio =  0.10000 Cut top at    15.92*SIGRO DDM0   44    1    1

 The phase shift =   15.4917    1522 DDM0   44    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.42645   0.53802 DDM0   44    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57632  -0.01989 DDM0   44    1    1
 R-factor & Corr for weak   E       57      0.07      0.33   0.59789  -0.08934 DDM0   44    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45351   0.00000 DDM0   44    1    1

 Value D =     0.510788 DDM0   44    1    1

 The phase shift =    0.4502    1522 DDM0   44    1   30

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37630   0.66388 DDM0   44    1   30
 R-factor & Corr for medium E      875      0.40      0.35   0.54922   0.01393 DDM0   44    1   30
 R-factor & Corr for weak   E       57      0.07      0.34   0.60599  -0.11221 DDM0   44    1   30
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44335   0.00000 DDM0   44    1   30

 Value D =     0.504662 DDM0   44    1   30

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.06039   0.10987   0.04941  1.00  0.00   8   RATM   45    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.53255   0.03742 RATM   45    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.53071  -0.00594 RATM   45    0    0
 R-factor & Corr for weak   E       57      0.07      0.73   0.57843   0.19977 RATM   45    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45137   0.00000 RATM   45    0    0

 Value D =     0.514726 INIT   45    0    0

 ROmax = 149.7543 Cut top ratio =  0.10000 Cut top at    14.98*SIGRO DDM0   45    1    1

 The phase shift =   16.1362    1522 DDM0   45    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44482   0.51125 DDM0   45    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.57925   0.01090 DDM0   45    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.64003   0.11308 DDM0   45    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45888   0.00000 DDM0   45    1    1

 Value D =     0.512488 DDM0   45    1    1

 The phase shift =    0.4403    1522 DDM0   45    1   34

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.38988   0.65316 DDM0   45    1   34
 R-factor & Corr for medium E      875      0.40      0.35   0.54637   0.05938 DDM0   45    1   34
 R-factor & Corr for weak   E       57      0.07      0.34   0.57637   0.16395 DDM0   45    1   34
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43669   0.00000 DDM0   45    1   34

 Value D =     0.506435 DDM0   45    1   34

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.49512   0.02828   0.03354  1.00  0.00   8   RATM   46    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.82   0.58640   0.10965 RATM   46    0    0
 R-factor & Corr for medium E      875      0.40      0.78   0.62996  -0.04455 RATM   46    0    0
 R-factor & Corr for weak   E       57      0.07      0.76   0.61918   0.00763 RATM   46    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45512   0.00000 RATM   46    0    0

 Value D =     0.738825 INIT   46    0    0

 ROmax = 148.6953 Cut top ratio =  0.10000 Cut top at    14.87*SIGRO DDM0   46    1    1

 The phase shift =   23.3143    1522 DDM0   46    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.92   0.52425   0.51205 DDM0   46    1    1
 R-factor & Corr for medium E      875      0.40      0.32   0.66669  -0.01445 DDM0   46    1    1
 R-factor & Corr for weak   E       57      0.07      0.28   0.62382   0.02364 DDM0   46    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44598   0.00000 DDM0   46    1    1

 Value D =     0.716312 DDM0   46    1    1

 The phase shift =    0.4803    1522 DDM0   46    1   33

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.39817   0.64379 DDM0   46    1   33
 R-factor & Corr for medium E      875      0.40      0.34   0.56932   0.02734 DDM0   46    1   33
 R-factor & Corr for weak   E       57      0.07      0.34   0.60855   0.00919 DDM0   46    1   33
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44391   0.00000 DDM0   46    1   33

 Value D =     0.543199 DDM0   46    1   33

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.10986   0.06002   0.04931  1.00  0.00   8   RATM   47    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.53205   0.03992 RATM   47    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.53349  -0.00982 RATM   47    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.57661   0.20089 RATM   47    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45120   0.00000 RATM   47    0    0

 Value D =     0.515280 INIT   47    0    0

 ROmax = 146.1607 Cut top ratio =  0.10000 Cut top at    14.62*SIGRO DDM0   47    1    1

 The phase shift =   16.1115    1522 DDM0   47    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44374   0.51967 DDM0   47    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.57843   0.01495 DDM0   47    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.66220   0.12486 DDM0   47    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45628   0.00000 DDM0   47    1    1

 Value D =     0.512504 DDM0   47    1    1

 The phase shift =    0.4767    1522 DDM0   47    1   31

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.39160   0.65065 DDM0   47    1   31
 R-factor & Corr for medium E      875      0.40      0.35   0.54453   0.05960 DDM0   47    1   31
 R-factor & Corr for weak   E       57      0.07      0.35   0.59323   0.17279 DDM0   47    1   31
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43617   0.00000 DDM0   47    1   31

 Value D =     0.507147 DDM0   47    1   31

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.49506   0.03390   0.02781  1.00  0.00   8   RATM   48    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.82   0.57424   0.10712 RATM   48    0    0
 R-factor & Corr for medium E      875      0.40      0.78   0.61627  -0.04291 RATM   48    0    0
 R-factor & Corr for weak   E       57      0.07      0.77   0.61375   0.00325 RATM   48    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45197   0.00000 RATM   48    0    0

 Value D =     0.707321 INIT   48    0    0

 ROmax = 154.5451 Cut top ratio =  0.10000 Cut top at    15.45*SIGRO DDM0   48    1    1

 The phase shift =   19.5066    1522 DDM0   48    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.93   0.50933   0.50570 DDM0   48    1    1
 R-factor & Corr for medium E      875      0.40      0.32   0.64542   0.00192 DDM0   48    1    1
 R-factor & Corr for weak   E       57      0.07      0.29   0.57015   0.04673 DDM0   48    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45334   0.00000 DDM0   48    1    1

 Value D =     0.662026 DDM0   48    1    1

 The phase shift =    0.4853    1522 DDM0   48    1   34

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.40043   0.63655 DDM0   48    1   34
 R-factor & Corr for medium E      875      0.40      0.34   0.57139   0.00409 DDM0   48    1   34
 R-factor & Corr for weak   E       57      0.07      0.34   0.59825   0.03182 DDM0   48    1   34
 R-factor & Corr for extstr E    18712      1.00      0.87   0.44214   0.00000 DDM0   48    1   34

 Value D =     0.535320 DDM0   48    1   34

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.38741   0.22377   0.09835  1.00  0.00   8   RATM   49    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.51859   0.05716 RATM   49    0    0
 R-factor & Corr for medium E      875      0.40      0.83   0.56273   0.01906 RATM   49    0    0
 R-factor & Corr for weak   E       57      0.07      0.74   0.56610   0.13644 RATM   49    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46289   0.00000 RATM   49    0    0

 Value D =     0.511892 INIT   49    0    0

 ROmax = 150.0108 Cut top ratio =  0.10000 Cut top at    15.00*SIGRO DDM0   49    1    1

 The phase shift =   17.3083    1522 DDM0   49    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.00   0.43487   0.51789 DDM0   49    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.56259   0.05076 DDM0   49    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.69495   0.05201 DDM0   49    1    1
 R-factor & Corr for extstr E    18712      1.00      0.86   0.45943   0.00000 DDM0   49    1    1

 Value D =     0.510776 DDM0   49    1    1

 The phase shift =    0.4559    1522 DDM0   49    1   34

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37966   0.63933 DDM0   49    1   34
 R-factor & Corr for medium E      875      0.40      0.35   0.56362  -0.02721 DDM0   49    1   34
 R-factor & Corr for weak   E       57      0.07      0.37   0.58326   0.00666 DDM0   49    1   34
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43875   0.00000 DDM0   49    1   34

 Value D =     0.503672 DDM0   49    1   34

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.03612   0.08825   0.02884  1.00  0.00   8   RATM   50    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.85   0.54931   0.09147 RATM   50    0    0
 R-factor & Corr for medium E      875      0.40      0.79   0.57238   0.04371 RATM   50    0    0
 R-factor & Corr for weak   E       57      0.07      0.94   0.71135  -0.12995 RATM   50    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46043   0.00000 RATM   50    0    0

 Value D =     0.532464 INIT   50    0    0

 ROmax = 145.6439 Cut top ratio =  0.10000 Cut top at    14.56*SIGRO DDM0   50    1    1

 The phase shift =   16.3923    1522 DDM0   50    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.97   0.45986   0.49839 DDM0   50    1    1
 R-factor & Corr for medium E      875      0.40      0.33   0.57233   0.05595 DDM0   50    1    1
 R-factor & Corr for weak   E       57      0.07      0.36   0.65541  -0.02152 DDM0   50    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45472   0.00000 DDM0   50    1    1

 Value D =     0.525167 DDM0   50    1    1

 The phase shift =    0.4850    1522 DDM0   50    1   48

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37699   0.65611 DDM0   50    1   48
 R-factor & Corr for medium E      875      0.40      0.35   0.55499  -0.02077 DDM0   50    1   48
 R-factor & Corr for weak   E       57      0.07      0.34   0.71208   0.04689 DDM0   50    1   48
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44028   0.00000 DDM0   50    1   48

 Value D =     0.517859 DDM0   50    1   48

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.41706   0.11328   0.03283  1.00  0.00   8   RATM   51    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.89   0.51507   0.02510 RATM   51    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.55303   0.02127 RATM   51    0    0
 R-factor & Corr for weak   E       57      0.07      0.72   0.61343   0.09078 RATM   51    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45584   0.00000 RATM   51    0    0

 Value D =     0.513033 INIT   51    0    0

 ROmax = 135.0311 Cut top ratio =  0.10000 Cut top at    13.50*SIGRO DDM0   51    1    1

 The phase shift =   17.6645    1522 DDM0   51    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.42293   0.55171 DDM0   51    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54810   0.02335 DDM0   51    1    1
 R-factor & Corr for weak   E       57      0.07      0.37   0.58644   0.11114 DDM0   51    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45820   0.00000 DDM0   51    1    1

 Value D =     0.510848 DDM0   51    1    1

 The phase shift =    0.4954    1522 DDM0   51    1   36

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.38143   0.66134 DDM0   51    1   36
 R-factor & Corr for medium E      875      0.40      0.35   0.52951   0.04253 DDM0   51    1   36
 R-factor & Corr for weak   E       57      0.07      0.37   0.62585   0.07700 DDM0   51    1   36
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44120   0.00000 DDM0   51    1   36

 Value D =     0.504245 DDM0   51    1   36

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.36174   0.16414   0.05718  1.00  0.00   8   RATM   52    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.54925   0.04122 RATM   52    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56588   0.02841 RATM   52    0    0
 R-factor & Corr for weak   E       57      0.07      0.69   0.62371   0.13412 RATM   52    0    0
 R-factor & Corr for extstr E    18712      1.00      0.86   0.46424   0.00000 RATM   52    0    0

 Value D =     0.513091 INIT   52    0    0

 ROmax = 157.7281 Cut top ratio =  0.10000 Cut top at    15.77*SIGRO DDM0   52    1    1

 The phase shift =   14.0372    1522 DDM0   52    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.44756   0.50518 DDM0   52    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54617   0.07038 DDM0   52    1    1
 R-factor & Corr for weak   E       57      0.07      0.30   0.62039  -0.03578 DDM0   52    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45445   0.00000 DDM0   52    1    1

 Value D =     0.511816 DDM0   52    1    1

 The phase shift =    0.4973    1522 DDM0   52    1   49

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37554   0.67550 DDM0   52    1   49
 R-factor & Corr for medium E      875      0.40      0.35   0.54239   0.06158 DDM0   52    1   49
 R-factor & Corr for weak   E       57      0.07      0.35   0.63629  -0.04446 DDM0   52    1   49
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44236   0.00000 DDM0   52    1   49

 Value D =     0.504604 DDM0   52    1   49

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.49443   0.05203   0.03094  1.00  0.00   8   RATM   53    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.88   0.50264   0.10654 RATM   53    0    0
 R-factor & Corr for medium E      875      0.40      0.85   0.53820   0.00158 RATM   53    0    0
 R-factor & Corr for weak   E       57      0.07      0.86   0.57784   0.03061 RATM   53    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.46313   0.00000 RATM   53    0    0

 Value D =     0.534694 INIT   53    0    0

 ROmax = 143.4937 Cut top ratio =  0.10000 Cut top at    14.35*SIGRO DDM0   53    1    1

 The phase shift =   16.4113    1522 DDM0   53    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.98   0.44481   0.57966 DDM0   53    1    1
 R-factor & Corr for medium E      875      0.40      0.34   0.56604   0.05106 DDM0   53    1    1
 R-factor & Corr for weak   E       57      0.07      0.34   0.57444   0.13306 DDM0   53    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45012   0.00000 DDM0   53    1    1

 Value D =     0.533203 DDM0   53    1    1

 The phase shift =    0.4880    1522 DDM0   53    1   33

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.37590   0.66044 DDM0   53    1   33
 R-factor & Corr for medium E      875      0.40      0.35   0.56687  -0.00047 DDM0   53    1   33
 R-factor & Corr for weak   E       57      0.07      0.36   0.56993   0.14847 DDM0   53    1   33
 R-factor & Corr for extstr E    18712      1.00      0.88   0.43875   0.00000 DDM0   53    1   33

 Value D =     0.514888 DDM0   53    1   33

             XF        YF        ZF    OC  BFAC  ZJ   MESG NSET NCYC
 Atom   0.11257   0.24548   0.08462  1.00  0.00   8   RATM   54    0

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.87   0.53264   0.06266 RATM   54    0    0
 R-factor & Corr for medium E      875      0.40      0.82   0.56607   0.04582 RATM   54    0    0
 R-factor & Corr for weak   E       57      0.07      0.80   0.55921   0.10712 RATM   54    0    0
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45633   0.00000 RATM   54    0    0

 Value D =     0.512734 INIT   54    0    0

 ROmax = 160.7394 Cut top ratio =  0.10000 Cut top at    16.07*SIGRO DDM0   54    1    1

 The phase shift =   14.8066    1522 DDM0   54    1    1

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      0.99   0.43923   0.50341 DDM0   54    1    1
 R-factor & Corr for medium E      875      0.40      0.35   0.54341   0.05964 DDM0   54    1    1
 R-factor & Corr for weak   E       57      0.07      0.32   0.57739   0.23310 DDM0   54    1    1
 R-factor & Corr for extstr E    18712      1.00      0.87   0.45651   0.00000 DDM0   54    1    1

 Value D =     0.511826 DDM0   54    1    1

 The phase shift =    0.4928    1522 DDM0   54    1   38

                                   N       <Eo>      <Ec>    R-Factor     CC   MESG NSET NTRY NCYC
 R-factor & Corr for strong E     1522      1.12      1.01   0.36683   0.66443 DDM0   54    1   38
 R-factor & Corr for medium E      875      0.40      0.35   0.52190   0.10533 DDM0   54    1   38
 R-factor & Corr for weak   E       57      0.07      0.32   0.57636   0.23116 DDM0   54    1   38
 R-factor & Corr for extstr E    18712      1.00      0.88   0.44226   0.00000 DDM0   54    1   38

 Value D =     0.503644 DDM0   54    1   38

 Output phase set         54




 ********************************************
 *** Correlation Coefficient vs number of cycles ***
 ********************************************


  ****************************************
 $TABLE:Correlation Coefficient vs number of cycles :
 $GRAPHS: CC vs CYCLES for set    54:N:2,3: $$
 Bin
 Cycle_number
 CC
 $$
 Bin Cycle_number   CC  $$

     1     0   0.04582
     2     1   0.05964
     3     2   0.08721
     4     3   0.11025
     5     4   0.12183
     6     5   0.12283
     7     6   0.12042
     8     7   0.11646
     9     8   0.11367
    10     9   0.11121
    11    10   0.10871
    12    11   0.10631
    13    12   0.10429
    14    13   0.10300
    15    14   0.10244
    16    15   0.10223
    17    16   0.10227
    18    17   0.10226
    19    18   0.10220
    20    19   0.10223
    21    20   0.10239
    22    21   0.10276
    23    22   0.10313
    24    23   0.10338
    25    24   0.10332
    26    25   0.10325
    27    26   0.10315
    28    27   0.10307
    29    28   0.10302
    30    29   0.10314
    31    30   0.10334
    32    31   0.10379
    33    32   0.10379
    34    33   0.10379
    35    34   0.10390
    36    35   0.10408
    37    36   0.10440
    38    37   0.10480
    39    38   0.10533
 $$




 ********************************************
 *** R-factor and Correlation Coefficient ***
 ********************************************


  ****************************************
 $TABLE:R-Factor analysis against 4(sin theta/lambda)**2 :
 $GRAPHS: R & Corr vs Resln. for set    54 cycle    38:A:2,7,8: $$
 $GRAPHS: Refls. vs Resln. for set    54 cycle    38:N:2,4: $$
 Bin
 1/resol^2
 Reso_in_Angstroms
 Refls_per_bin
 Mean_AbsEobs
 Mean_AbsEcalc
 R_factor
 Linear_Correlation
 $$
 Bin 4(S/L)**2    d        N    <AbsEobs> <AbsEcalc>     R      Corr $$

   1   0.0114    9.38      43      0.88      0.67   0.55847   0.45035
   2   0.0227    6.63      59      0.74      0.67   0.57222   0.56810
   3   0.0341    5.42      77      0.67      0.59   0.48862   0.54149
   4   0.0454    4.69      83      0.88      0.81   0.36123   0.75503
   5   0.0568    4.20      92      0.95      0.88   0.34774   0.76694
   6   0.0681    3.83      99      0.88      0.81   0.40072   0.76577
   7   0.0795    3.55     110      0.87      0.80   0.44445   0.67025
   8   0.0909    3.32     115      0.83      0.77   0.36038   0.80397
   9   0.1022    3.13     126      0.98      0.91   0.34497   0.79365
  10   0.1136    2.97     121      0.83      0.76   0.40201   0.77248
  11   0.1249    2.83     133      0.75      0.69   0.42855   0.68905
  12   0.1363    2.71     137      0.71      0.64   0.44385   0.67726
  13   0.1477    2.60     143      0.81      0.75   0.40397   0.68024
  14   0.1590    2.51     154      0.82      0.72   0.42718   0.76150
  15   0.1704    2.42     148      0.91      0.82   0.38142   0.76055
  16   0.1817    2.35     161      0.88      0.80   0.33075   0.82219
  17   0.1931    2.28     156      0.84      0.74   0.43023   0.73679
  18   0.2044    2.21     165      0.83      0.76   0.39617   0.73598
  19   0.2158    2.15     172      0.87      0.78   0.37579   0.80168
  20   0.2272    2.10     180      0.86      0.77   0.35522   0.79759
  21   0.2385    2.05     170      1.00      0.87   0.46185   0.00000
  22   0.2499    2.00     189      1.00      0.89   0.41645   0.00000
  23   0.2612    1.96     182      1.00      0.87   0.45205   0.00000
  24   0.2726    1.92     191      1.00      0.84   0.48047   0.00000
  25   0.2839    1.88     190      1.00      0.86   0.46797   0.00000
  26   0.2953    1.84     196      1.00      0.88   0.44195   0.00000
  27   0.3067    1.81     211      1.00      0.85   0.48305   0.00000
  28   0.3180    1.77     193      1.00      0.86   0.46668   0.00000
  29   0.3294    1.74     212      1.00      0.86   0.45644   0.00000
  30   0.3407    1.71     215      1.00      0.88   0.42803   0.00000
  31   0.3521    1.69     215      1.00      0.88   0.42565   0.00000
  32   0.3634    1.66     210      1.00      0.89   0.42108   0.00000
  33   0.3748    1.63     216      1.00      0.88   0.42947   0.00000
  34   0.3862    1.61     231      1.00      0.89   0.40983   0.00000
  35   0.3975    1.59     224      1.00      0.87   0.46677   0.00000
  36   0.4089    1.56     238      1.00      0.89   0.41303   0.00000
  37   0.4202    1.54     231      1.00      0.87   0.46152   0.00000
  38   0.4316    1.52     234      1.00      0.86   0.47854   0.00000
  39   0.4430    1.50     230      1.00      0.87   0.45564   0.00000
  40   0.4543    1.48     246      1.00      0.87   0.46287   0.00000
  41   0.4657    1.47     241      1.00      0.87   0.43282   0.00000
  42   0.4770    1.45     243      1.00      0.87   0.44926   0.00000
  43   0.4884    1.43     254      1.00      0.87   0.45642   0.00000
  44   0.4997    1.41     251      1.00      0.86   0.47912   0.00000
  45   0.5111    1.40     261      1.00      0.86   0.47203   0.00000
  46   0.5225    1.38     244      1.00      0.88   0.41953   0.00000
  47   0.5338    1.37     267      1.00      0.87   0.44694   0.00000
  48   0.5452    1.35     265      1.00      0.87   0.43402   0.00000
  49   0.5565    1.34     270      1.00      0.87   0.44284   0.00000
  50   0.5679    1.33     258      1.00      0.89   0.40955   0.00000
  51   0.5792    1.31     280      1.00      0.87   0.45305   0.00000
  52   0.5906    1.30     276      1.00      0.88   0.44562   0.00000
  53   0.6020    1.29     271      1.00      0.88   0.44518   0.00000
  54   0.6133    1.28     269      1.00      0.88   0.43064   0.00000
  55   0.6247    1.27     293      1.00      0.88   0.42975   0.00000
  56   0.6360    1.25     283      1.00      0.87   0.45450   0.00000
  57   0.6474    1.24     285      1.00      0.89   0.42323   0.00000
  58   0.6587    1.23     289      1.00      0.88   0.43743   0.00000
  59   0.6701    1.22     292      1.00      0.87   0.44382   0.00000
  60   0.6815    1.21     275      1.00      0.87   0.44150   0.00000
  61   0.6928    1.20     296      1.00      0.88   0.43759   0.00000
  62   0.7042    1.19     304      1.00      0.87   0.43851   0.00000
  63   0.7155    1.18     312      1.00      0.88   0.43380   0.00000
  64   0.7269    1.17     299      1.00      0.87   0.45875   0.00000
  65   0.7383    1.16     297      1.00      0.88   0.43606   0.00000
  66   0.7496    1.16     307      1.00      0.89   0.39348   0.00000
  67   0.7610    1.15     292      1.00      0.86   0.47349   0.00000
  68   0.7723    1.14     315      1.00      0.88   0.45993   0.00000
  69   0.7837    1.13     323      1.00      0.88   0.42693   0.00000
  70   0.7950    1.12     323      1.00      0.88   0.43839   0.00000
  71   0.8064    1.11     301      1.00      0.89   0.41019   0.00000
  72   0.8178    1.11     323      1.00      0.87   0.44163   0.00000
  73   0.8291    1.10     320      1.00      0.88   0.43941   0.00000
  74   0.8405    1.09     334      1.00      0.88   0.42416   0.00000
  75   0.8518    1.08     316      1.00      0.88   0.42919   0.00000
  76   0.8632    1.08     331      1.00      0.88   0.43125   0.00000
  77   0.8745    1.07     332      1.00      0.87   0.44918   0.00000
  78   0.8859    1.06     335      1.00      0.88   0.44576   0.00000
  79   0.8973    1.06     318      1.00      0.87   0.47106   0.00000
  80   0.9086    1.05     347      1.00      0.87   0.43684   0.00000
  81   0.9200    1.04     345      1.00      0.87   0.45541   0.00000
  82   0.9313    1.04     316      1.00      0.88   0.44939   0.00000
  83   0.9427    1.03     365      1.00      0.89   0.41383   0.00000
  84   0.9541    1.02     323      1.00      0.88   0.44347   0.00000
  85   0.9654    1.02     362      1.00      0.88   0.45059   0.00000
  86   0.9768    1.01     346      1.00      0.88   0.44470   0.00000
  87   0.9881    1.01     343      1.00      0.88   0.43538   0.00000
  88   0.9995    1.00     364      1.00      0.88   0.42882   0.00000
  89   1.0108    0.99      12      1.00      0.88   0.47673   0.00000
 $$
 Overall Totals:        21166      0.98      0.86   0.43800   0.31552


  ****************************************
 $TABLE:R-Factor analysis against Eo :
 $GRAPHS: R & Corr vs Eo for set    54 cycle    38:A:1,6,7: $$
 $GRAPHS: R & Corr vs Eo for set    54 cycle    38:A:2,6,7: $$
 $GRAPHS: Refls. vs Eo for set    54 cycle    38:N:1,3: $$
 Bin
 Eo
 Refls_per_bin
 Mean_AbsEobs
 Mean_AbsEcalc
 R_factor
 Linear_Correlation
 $$
 Bin     Eo        N    <AbsEobs> <AbsEcalc>     R      Corr $$

   1     2.37      23      2.56      2.71   0.14339   0.62432
   2     2.12      24      2.23      2.30   0.17678   0.11209
   3     1.94      24      2.02      1.92   0.19210   0.04083
   4     1.81      24      1.88      1.91   0.18160   0.42415
   5     1.74      24      1.77      1.77   0.25947  -0.13288
   6     1.69      24      1.72      1.40   0.29992   0.02012
   7     1.63      24      1.67      1.72   0.17668  -0.31294
   8     1.57      24      1.61      1.46   0.30194  -0.22072
   9     1.54      24      1.56      1.32   0.37649   0.26365
  10     1.50      24      1.52      1.50   0.25517  -0.32398
  11     1.46      24      1.48      1.58   0.26753  -0.18255
  12     1.43      24      1.45      1.19   0.33379   0.02117
  13     1.40      24      1.42      1.27   0.38886  -0.29043
  14     1.37      24      1.39      1.47   0.46457   0.19715
  15     1.35      24      1.36      1.16   0.35677   0.20782
  16     1.32      24      1.33      1.20   0.40725   0.09122
  17     1.30      24      1.31      1.24   0.32480   0.06961
  18     1.28      24      1.29      0.93   0.41416   0.19358
  19     1.26      24      1.27      1.14   0.33193  -0.19207
  20     1.24      24      1.25      1.07   0.46845   0.17264
  21     1.22      24      1.23      1.19   0.39425  -0.27841
  22     1.20      24      1.21      1.07   0.34829   0.07636
  23     1.18      24      1.19      0.96   0.38563  -0.01711
  24     1.16      24      1.17      1.00   0.44618  -0.19404
  25     1.14      24      1.15      1.00   0.37169   0.43440
  26     1.12      24      1.13      0.94   0.45776   0.02296
  27     1.10      24      1.11      0.91   0.52276  -0.07663
  28     1.08      24      1.09      0.86   0.40435  -0.13701
  29     1.06      24      1.07      0.85   0.42783  -0.15217
  30     1.05      24      1.05      0.87   0.44760   0.07254
  31     1.03      24      1.04      0.81   0.42032   0.15243
  32     1.01      24      1.02      0.95   0.28855   0.25407
  33     1.00      24      1.01      0.74   0.48318  -0.12331
  34     0.99      24      1.00      0.83   0.36328  -0.02818
  35     0.98      24      0.99      0.79   0.47791  -0.08395
  36     0.97      24      0.97      0.84   0.46726   0.22212
  37     0.95      24      0.96      0.91   0.34191  -0.32679
  38     0.94      24      0.94      0.78   0.46556   0.22324
  39     0.92      24      0.93      0.85   0.39003   0.32721
  40     0.91      24      0.91      0.80   0.34823  -0.24587
  41     0.89      24      0.90      0.75   0.45125   0.13550
  42     0.88      24      0.89      0.79   0.34953  -0.13306
  43     0.87      24      0.87      0.70   0.49782  -0.01028
  44     0.86      24      0.86      0.82   0.29234  -0.15868
  45     0.85      24      0.85      0.71   0.38656  -0.29390
  46     0.84      24      0.84      0.69   0.47354  -0.14867
  47     0.83      24      0.83      0.85   0.27673   0.00911
  48     0.82      24      0.82      0.60   0.47048  -0.08118
  49     0.80      24      0.81      0.76   0.41859   0.16036
  50     0.79      24      0.80      0.69   0.44176   0.29680
  51     0.78      24      0.78      0.56   0.48097  -0.13616
  52     0.76      24      0.77      0.61   0.37747   0.04898
  53     0.75      24      0.76      0.58   0.52057   0.62524
  54     0.74      24      0.75      0.77   0.41095   0.19720
  55     0.73      24      0.74      0.59   0.44835   0.02382
  56     0.73      24      0.73      0.65   0.51291   0.26532
  57     0.71      24      0.72      0.61   0.33901  -0.19712
  58     0.69      24      0.70      0.86   0.39816  -0.05296
  59     0.68      24      0.68      0.68   0.43368  -0.15157
  60     0.67      24      0.67      0.56   0.48186   0.00765
  61     0.65      24      0.66      0.68   0.52878   0.31561
  62     0.64      24      0.65      0.65   0.33343   0.08307
  63     0.63      24      0.64      0.64   0.42811  -0.01340
  64     0.62      24      0.63      0.58   0.58109   0.53501
  65     0.61      24      0.62      0.39   0.45660  -0.20109
  66     0.60      24      0.61      0.38   0.48518  -0.11333
  67     0.59      24      0.59      0.40   0.46289  -0.00363
  68     0.57      24      0.58      0.40   0.42956   0.07097
  69     0.56      24      0.57      0.40   0.45702  -0.12549
  70     0.55      24      0.56      0.34   0.44278  -0.31445
  71     0.54      24      0.54      0.40   0.30079  -0.17941
  72     0.53      24      0.53      0.41   0.45947  -0.26416
  73     0.52      24      0.52      0.24   0.62546   0.17359
  74     0.50      24      0.51      0.46   0.50789   0.06985
  75     0.49      24      0.50      0.41   0.57782  -0.37027
  76     0.47      24      0.48      0.32   0.33896   0.41305
  77     0.47      24      0.47      0.28   0.52708  -0.03953
  78     0.45      24      0.46      0.38   0.44316  -0.27442
  79     0.44      24      0.45      0.33   0.53199  -0.34570
  80     0.43      24      0.44      0.34   0.37980   0.35391
  81     0.42      24      0.43      0.37   0.42412  -0.16281
  82     0.41      24      0.42      0.31   0.39071   0.17039
  83     0.39      24      0.40      0.38   0.44642  -0.21818
  84     0.38      24      0.39      0.40   0.45824  -0.07024
  85     0.37      24      0.38      0.37   0.37139  -0.06622
  86     0.36      24      0.36      0.35   0.47185   0.13084
  87     0.34      24      0.35      0.40   0.39632  -0.35500
  88     0.33      24      0.34      0.37   0.32540   0.20630
  89     0.32      24      0.32      0.36   0.39114   0.31683
  90     0.30      24      0.31      0.33   0.39412   0.06595
  91     0.29      24      0.30      0.36   0.42495   0.19680
  92     0.27      24      0.28      0.30   0.51328  -0.41981
  93     0.26      24      0.27      0.29   0.54927  -0.17256
  94     0.24      24      0.25      0.30   0.48079  -0.38944
  95     0.21      24      0.23      0.29   0.53900  -0.11484
  96     0.18      24      0.20      0.33   0.44374   0.39190
  97     0.17      24      0.18      0.30   0.55658   0.13025
  98     0.15      24      0.16      0.34   0.51479   0.14484
  99     0.13      24      0.14      0.35   0.62253   0.06201
 100     0.10      79      0.08      0.30   0.61434   0.07413
 $$





 WRITTEN OUTPUT MTZ FILE 
 Logical Name: HKLOUT   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo_acorn1.mtz 

 * Title:

 [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 17

 * Number of Reflections = 21166

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L dum1 sdum1 EOEXT PHIOUT WTOUT ECOUT FP SIGFP R-free-flags F_ECALC E SIGE F2OR E2OR

 * Column Types :

 H H H F Q F P W F F Q I F E Q J J

 * Associated datasets :

 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00034    0.99996     (     54.269 -      1.000 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)




<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 ACORN:   Normal termination
Times: User:   29538.0s System:    1.4s Elapsed:   496:26  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
File: "/tmp/phzwart/betty_6_3_map.tmp"
Cannot be opened for reading
>>>>>> CCP4 library signal ccp4_general:Cannot find input file (Success)
	 raised in ccp4setenv <<<<<<
 mapmask:  Cannot find input file
Times: User:       0.0s System:    0.0s Elapsed:     0:00  
***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command: mapmask MAPIN "/tmp/phzwart/betty_6_3_map.tmp" MAPOUT "/tmp/phzwart/betty_6.map" 
has failed with error message
Last system error message: No such file or directory
 mapmask:  Cannot find input file
***************************************************************************


#CCP4I TERMINATION STATUS 0 "Last system error message: No such file or directory  mapmask:  Cannot find input file"
#CCP4I TERMINATION TIME 23 Nov 2006  00:10:00
#CCP4I MESSAGE Task failed