#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT LOG acorn
#CCP4I DATE 22 Nov 2006  15:52:39
#CCP4I USER phzwart
#CCP4I PROJECT betty
#CCP4I JOB_ID 5
#CCP4I SCRATCH /tmp/phzwart
#CCP4I HOSTNAME rosie.lbl.gov
#CCP4I PID 12437

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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: 15:52:39 


 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--- 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.

 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

 Volume =  452065.31 F000 =   91664.70 E000 =     114.90

 Random single atom searching using     20.00 % reflections before RESORT.
***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command: acorn HKLIN "/net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo.mtz"  HKLOUT "/net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo_acorn1.mtz" 
has failed with error message
child killed: kill signal
***************************************************************************


#CCP4I TERMINATION STATUS 0 "child killed: kill signal"
#CCP4I TERMINATION TIME 22 Nov 2006  15:53:01
#CCP4I MESSAGE Task failed