_
                                 |_)
                                 | recognition

                                 Release T5.1.5
                              all rights reserved
                                   *   *   *
                                John Zhong Ren
                              Renz Research, Inc.
                  P. O. Box 605, Westmont, IL 60559, U. S. A.
                          Email renz@renzresearch.com
                              Tel (630) 230-0272
                              Fax (435) 514-2645


|||)) Welcome to CPLi  0.18.20080207
|||\\ Renz Research, Inc.


Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Quit    Q: Exit Precognition (default)
Precognition: Script file "index.inp" is opened for input.

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Quit    Q: Exit Precognition (default)
Precognition: diagnostic    off
Message of type "diagnostic" is turned off.

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Quit    Q: Exit Precognition (default)
Precognition: busy          off
Message of type "busy" is turned off.

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Quit    Q: Exit Precognition (default)
Precognition: 

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Quit    Q: Exit Precognition (default)
Precognition: Input

Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    @ pyp.inp
Script file "pyp.inp" is opened for input.

Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input: Crystal 66.9 66.9 40.8 90 90 120 173
Loading the Space-group Database ... The space-group #173 is loaded.
File /home/renz/code/ccl/lib/symlib read.

Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input: 
Script file is closed.

Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Format     MarCCD

Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Distance   100

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Crystal-to-detector distance is set to 100 mm.



Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Center     997.5 1031.8

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Direct-beam center is set to 997.5, 1031.8 in pixel.



Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Pixel      0.0792 0.0792

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Pixel size is set to 0.0792 X 0.0792 in mm.



Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Omega      -90 0

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Polar orientation of omega-axis is set to (-90,0) degree.



Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Omega      O: Omega polar orientation     (deg; o -90 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Goniometer 0 0 -30

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Goniometer omega is set to 0 degree.



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|________|

Goniometer chi is set to 0 degree.



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Goniometer phi is set to -30 degree.



Precognition:Input: Format     F: Image format                (f [esrf])
                    Goniometer G: Goniometer omega, chi, phi  (deg; g 0 0 0)
                    Crystal    X: Crystal info file or cell & SG No
                    Matrix     M: Missetting matrix           (by row)
                    Distance   D: Crystal-detector distance   (mm; d 100)
                    Center     C: Direct-beam                 (pxl; c 1000 1000)
                    Center     C: Normal projection           (c 50 50 normal)
                    Pixel      P: Pixel size                  (mm; p 0.1 0.1)
                    Swing      S: Detector swing angles       (deg; s 30 0)
                    Tilt       T: Detector tilt angle(s)      (deg; t 0 [0])
                    Bulge      B: Quadratic & cubic           (10^-12; b 0 0)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Image      images/pyp1_001.mccd

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Image MARCCD165 selected.


File images/pyp1_001.mccd read.

Precognition:Input: Format     F: Image format                (f [esrf])
                    Center     C: Normal projection           (c 50 50 normal)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Resolution 2.2 100

Precognition:Input: Format     F: Image format                (f [esrf])
                    Center     C: Normal projection           (c 50 50 normal)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Wavelength 1 1.4 1.1

Precognition:Input: Format     F: Image format                (f [esrf])
                    Center     C: Normal projection           (c 50 50 normal)
                    Image      I: Image or dataset files
                    Spot       L: Length, width, sigma & file (pxl; l 8 6 2 [f])
                    Resolution R: User defaults               (A; r 3 20)
                    Wavelength W: User defaults               (A; w 0.5 2)
                    Chebyshev  V: Maximum degree of spectrum  (v 64)
                    Anomalous  A: Anomalous scattering        (a [on/off])
                    Quit       Q: Exit this menu (default)
Precognition:Input:    Quit

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Output  O: Save result in files
              Spot    S: Spot recognition      (e.g., s file)
              Dataset D: Process data set
              Quit    Q: Exit Precognition (default)
Precognition: 

Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Output  O: Save result in files
              Spot    S: Spot recognition      (e.g., s file)
              Dataset D: Process data set
              Quit    Q: Exit Precognition (default)
Precognition: Spot 10 4 5.8 pyp1_001.re.spt
File pyp1_001.re.spt is overwritten.


Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Output  O: Save result in files
              Spot    S: Spot recognition      (e.g., s file)
              Profile F: Spot profile          (e.g., f file)
              Ellipse E: Ellipse recognition
              Limits  L: Soft limits
              Dataset D: Process data set
              Quit    Q: Exit Precognition (default)
Precognition: Ellipse

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16 Ellipses Selected
    0    0    0     634.35   668.75     173593.5      226.3
    0    0    0    1433.87  1086.48     158246.0      209.4
    0    0    0    1245.01   647.55     139130.5      217.6
    0    0    0    1127.10   334.95     117149.5      170.2
    0    0    0    1330.59  1276.92     110454.4      169.9
    0    0    0    1296.84  1311.00     121459.8      207.3
    0    0    0     923.83   480.09      81731.0      124.8
    0    0    0    1281.70  1422.91      82567.1      148.6
    0    0    0    1724.58   604.12      77051.4      142.9
    0    0    0    1411.99   635.16      75262.4      140.9
    0    0    0    1258.04  1422.05      87537.1      191.8
    0    0    0    1068.10   659.06      86874.7      189.5
    0    0    0     682.27  1534.34      80881.5      165.7
    0    0    0    1332.91  1305.75      88695.7      205.9
    0    0    0     336.51   841.01      83881.1      186.2
    0    0    0    1200.86  1538.91      90086.0      228.2


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Offset to direct-beam center found by quasi-random walk-around:
(0.909667,0.0244048)

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Direct-beam center is set to 998.393, 1031.82 in pixel.



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16 Ellipses Recognized
    0    0    0    1725.03   602.84          0.0        1.0
    0    0    0     336.83   842.32          0.0        1.0
    0    0    0    1126.24   334.62          0.0        1.0
    0    0    0    1434.22  1086.80          0.0        1.0
    0    0    0    1200.38  1539.15          0.0        1.0
    0    0    0     634.38   669.28          0.0        1.0
    0    0    0     922.65   480.44          0.0        1.0
    0    0    0     681.91  1533.81          0.0        1.0
    0    0    0    1244.25   646.88          0.0        1.0
    0    0    0    1296.24  1311.51          0.0        1.0
    0    0    0    1411.77   634.53          0.0        1.0
    0    0    0    1065.13   658.56          0.0        1.0
    0    0    0    1330.56  1278.38          0.0        1.0
    0    0    0    1326.65  1307.02          0.0        1.0
    0    0    0    1281.22  1426.26          0.0        1.0
    0    0    0    1257.43  1422.64          0.0        1.0







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46 Nodals Recognized (Ordered by Rank)

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                    Center (pixel)     Intensity   Sigma(I)
                  _________________   __________ __________
    0    0    0    1359.57  1223.97      86190.6      457.9
    0    0    0    1330.02  1084.13      32362.6      324.0
    0    0    0     983.58   662.41     101305.2      490.6
    0    0    0    1219.50   843.15      36353.3      329.6
    0    0    0     728.37   609.65      38352.3      323.6
    0    0    0    1342.79   882.47      62925.0      402.4
    0    0    0    1073.88  1452.96      47847.0      363.3
    0    0    0    1114.59  1374.76      15876.0      268.8
    0    0    0    1156.76   950.08     155856.6      574.8
    0    0    0    1256.32   972.47       2867.9      193.6
    0    0    0     950.05  1121.31      53201.1      386.2
    0    0    0     927.02   724.76       1846.1      244.0
    0    0    0     998.22  1033.35        129.0       64.9
    0    0    0    1279.21   999.30        462.0      195.3
    0    0    0    1201.12  1000.18        911.4      192.6
    0    0    0    1293.63   418.76      10273.3      196.7
    0    0    0    1400.67   623.01      27573.4      276.0
    0    0    0     968.09  1064.40        374.3      148.1
    0    0    0    1427.85  1002.39      21831.9      272.5
    0    0    0    1149.64   557.38       5893.3      227.2
    0    0    0    1200.11   625.74       6936.9      220.1
    0    0    0    1367.04  1302.41      16884.4      252.5
    0    0    0    1058.17  1354.13     129468.6      550.9
    0    0    0    1093.31   514.99        538.1      190.0
    0    0    0     955.98  1381.03     200678.3      651.7
    0    0    0     664.86  1051.75       9787.5      240.1
    0    0    0    1130.97  1258.50      20055.1      267.2
    0    0    0     548.28  1249.18        289.8      185.1
    0    0    0     951.77   757.22       1051.2      229.0
    0    0    0     996.33  1534.82        112.7       61.9
    0    0    0    1066.63   900.36       9671.9      206.0
    0    0    0    1354.37  1186.44        511.8      201.5
    0    0    0    1280.48  1320.78        490.5      200.0
    0    0    0     833.66  1228.60        340.6      192.3
    0    0    0    1161.29  1021.84        739.0      187.2
    0    0    0    1100.20  1145.93        615.1      167.3
    0    0    0    1298.08  1094.16        339.8      227.5
    0    0    0    1218.48  1045.06        491.6      194.7
    0    0    0     911.72  1088.40       1874.8      185.4
    0    0    0     815.50   989.50        704.9      167.7
    0    0    0    1060.77  1015.39       2680.6      156.1
    0    0    0     890.50   992.83        550.9      176.7
    0    0    0    1115.61  1013.53        915.8      181.3
    0    0    0     907.75  1176.43        355.4      187.1
    0    0    0    1002.27   995.53        516.2      141.4
    0    0    0    1050.18  1075.69        350.0      167.5





Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Output  O: Save result in files
              Spot    S: Spot recognition      (e.g., s file)
              Profile F: Spot profile          (e.g., f file)
              Ellipse E: Ellipse recognition
              Pattern P: Pattern recognition
              Limits  L: Soft limits
              Dataset D: Process data set
              Quit    Q: Exit Precognition (default)
Precognition: Pattern     5 pyp1_001.pre.spt

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Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                46.4818   117.1468   117.7911
Euler angles (radian):                 0.8113     2.0446     2.0558
Missetting matrix:                    -0.02834919  -0.76342619   0.64527264
                                      -0.61604596  -0.49502362  -0.61273076
                                       0.78719991  -0.41488802  -0.45627210
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                73.0070   101.5280   -52.7129
Euler angles (radian):                 1.2742     1.7720    -0.9200
Missetting matrix:                     0.02499277   0.34830493   0.93704804
                                       0.62582866   0.72549047  -0.28636002
                                      -0.77956004   0.59358845  -0.19984719
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3991   111.4499   -84.9200
Euler angles (radian):                 0.3560     1.9452    -1.4821
Missetting matrix:                    -0.04396960   0.94489199   0.32441609
                                       0.37227126   0.31683941  -0.87236856
                                      -0.92708186   0.08241309  -0.36568744
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0
R.M.S.D. in pixel & matched spots:     2.653 605



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3830   111.4740   -84.9255
Euler angles (radian):                 0.3558     1.9456    -1.4822
Missetting matrix:                    -0.04409097   0.94498923   0.32411623
                                       0.37261944   0.31657587  -0.87231558
                                      -0.92693621   0.08231077  -0.36607950
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0
R.M.S.D. in pixel & matched spots:     2.855 631



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3747   111.4710   -84.9321
Euler angles (radian):                 0.3556     1.9455    -1.4823
Missetting matrix:                    -0.04412813   0.94502819   0.32399757
                                       0.37254346   0.31648662  -0.87238042
                                      -0.92696498   0.08220666  -0.36603003
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0
R.M.S.D. in pixel & matched spots:     2.803 584



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.4120   111.4379   -84.9195
Euler angles (radian):                 0.3563     1.9450    -1.4821
Missetting matrix:                    -0.04397746   0.94481500   0.32463919
                                       0.37208200   0.31706507  -0.87236731
                                      -0.92715747   0.08242790  -0.36549237
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0
R.M.S.D. in pixel & matched spots:     2.448 570



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):               -90.7787    58.4593   110.8492
Euler angles (radian):                -1.5844     1.0203     1.9347
Missetting matrix:                     0.49364303  -0.17346015  -0.85219020
                                       0.34923307   0.93696431   0.01158251
                                       0.79646269  -0.30333063   0.52310392
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

Cell constants, lattice orientation, goniometer setting,
and detector parameters: after initial refinement

Title:                              images/pyp1_001.mccd
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):               157.8703   126.5050   138.2417
Euler angles (radian):                 2.7554     2.2079     2.4128
Missetting matrix:                     0.84025590   0.44976021   0.30279660
                                       0.08600000  -0.66195692   0.74459186
                                       0.53532610  -0.59960719  -0.59489258
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0
R.M.S.D. in pixel & matched spots:     2.801 253



 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

5 possible crystal orientations are recognized;
corresponding cell constants and detector parameters are refined.

Indexing 1
R.M.S. deviation (pixel):              2.44762
Number of spots matched:             570
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.4120   111.4379   -84.9195
Euler angles (radian):                 0.3563     1.9450    -1.4821
Missetting matrix:                    -0.04397746   0.94481500   0.32463919
                                       0.37208200   0.31706507  -0.87236731
                                      -0.92715747   0.08242790  -0.36549237
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0

Indexing 2
R.M.S. deviation (pixel):              2.653
Number of spots matched:             605
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3991   111.4499   -84.9200
Euler angles (radian):                 0.3560     1.9452    -1.4821
Missetting matrix:                    -0.04396960   0.94489199   0.32441609
                                       0.37227126   0.31683941  -0.87236856
                                      -0.92708186   0.08241309  -0.36568744
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0

Indexing 3
R.M.S. deviation (pixel):              2.855
Number of spots matched:             631
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3830   111.4740   -84.9255
Euler angles (radian):                 0.3558     1.9456    -1.4822
Missetting matrix:                    -0.04409097   0.94498923   0.32411623
                                       0.37261944   0.31657587  -0.87231558
                                      -0.92693621   0.08231077  -0.36607950
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0

Indexing 4
R.M.S. deviation (pixel):              2.803
Number of spots matched:             584
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):                20.3747   111.4710   -84.9321
Euler angles (radian):                 0.3556     1.9455    -1.4823
Missetting matrix:                    -0.04412813   0.94502819   0.32399757
                                       0.37254346   0.31648662  -0.87238042
                                      -0.92696498   0.08220666  -0.36603003
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0

Indexing 5
R.M.S. deviation (pixel):              2.801
Number of spots matched:             253
Cell lengths (Angstrom):              66.9000    66.9000    40.8000
Cell angles (degree):                 90.0000    90.0000   120.0000
Euler angles (degree):               157.8703   126.5050   138.2417
Euler angles (radian):                 2.7554     2.2079     2.4128
Missetting matrix:                     0.84025590   0.44976021   0.30279660
                                       0.08600000  -0.66195692   0.74459186
                                       0.53532610  -0.59960719  -0.59489258
Goniometer omega, chi, phi(degree):    0.0000     0.0000   -30.0000
Omega-axis polar orientation (deg):  -90.0000     0.0000
Detector type:                     flat
Crystal-to-detector distance (mm):   100.0000
Direct-beam center (pixel):          998.3930    1031.8162
Pixel size (mm):                       0.0792000    0.0792000
Detector swing angles (degree):        0.0000       0.0000
Detector tilt angles (degree):         0.0000       0.0000
Detector bulge corrections (10^-12):           0            0



File pyp1_001.pre.spt is overwritten.

File pyp1_001.pre.spt.inp is overwritten.

File 1_pyp1_001.pre.spt is overwritten.

File 1_pyp1_001.pre.spt.inp is overwritten.

File 2_pyp1_001.pre.spt is overwritten.

File 2_pyp1_001.pre.spt.inp is overwritten.

File 3_pyp1_001.pre.spt is overwritten.

File 3_pyp1_001.pre.spt.inp is overwritten.

File 4_pyp1_001.pre.spt is overwritten.

File 4_pyp1_001.pre.spt.inp is overwritten.


 ______
|      )_
| Report |
| ------ |
| ------ |
| ------ |
| ----   |
|________|

One of the 6 equivalent missetting matrices are selected.
This matrix is 111.498 degrees away from the input matrix.

Input matrix:
1,-0,0
0,1,-0
0,0,1

Selected matrix:
0.796245,0.510493,0.324639
0.460627,-0.1637,-0.872367
-0.392194,0.844156,-0.365492



Precognition: Input   I: File & keyboard input (e.g., image & parameters)
              Output  O: Save result in files
              Spot    S: Spot recognition      (e.g., s file)
              Profile F: Spot profile          (e.g., f file)
              Ellipse E: Ellipse recognition
              Pattern P: Pattern recognition
              Limits  L: Soft limits
              Dataset D: Process data set
              Quit    Q: Exit Precognition (default)
Precognition: Quit