Generate File TITLE:   Raw data wedge from VTA_01_###.mar2300 1 to 53 at lambda= 0.843
 Crystal Identifier:    VTA_01



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
     1   0.00   0.03   -0.01  174.6  1.000     4    21  -0.01   0.02  0.038     0.5    1301   4070     0  1212   35   14.9     0.8    0.174   10   2.7
     2   0.00   0.01   -0.01  174.7  1.000     6    20  -0.02   0.02  0.033     0.7    1328   4067     0  1222   30   15.8     0.8    0.308    2   0.7
     3   0.00   0.02    0.01  174.7  1.000     4    21  -0.01   0.01  0.046     0.8    1407   3926     0  1205   35   15.8     0.9    0.059    6   2.6
     4   0.00   0.01    0.00  174.7  1.000     5    20  -0.02   0.01  0.041     0.8    1428   3871     0  1155   33   16.2     1.0    0.194    8   3.0
     5   0.00   0.02    0.00  174.7  1.000     5    20  -0.03   0.01  0.036     0.6    1434   3816     0  1199   30   15.9     0.7    0.092   20   3.3
     6   0.00   0.00    0.00  174.7  1.000     5    20  -0.03   0.01  0.040     0.7    1457   3835     0  1164   34   15.7     0.7    0.020   10   1.2
     7   0.00   0.02    0.00  174.7  1.000     5    20  -0.03   0.01  0.039     0.7    1439   3825     0  1157   41   15.4     0.8    0.123   12   3.4
     8   0.00   0.02    0.00  174.7  1.000     5    20  -0.03   0.01  0.039     0.6    1411   3865     0  1234   34   15.4     0.7    0.031    8   1.5
     9   0.00   0.01    0.00  174.7  1.000     5    20  -0.03   0.01  0.047     0.8    1442   3819     0  1177   30   16.3     0.9    0.078    6   3.8


 RESULTS OF POSTREFINEMENT
  3 successive pairs of images will be used
 Each image will have its own missetting angles
 Initial cell parameters  65.693  65.693  47.124  90.00  90.00  90.00
 Initial missetting angles   -0.001   -0.034   -0.028
 Cell parameters are not refined
 Beam parameters are being refined
 Input values (degrees): mosaic spread (EPS) 0.406 horizontal divergence (DIVH) 0.000 vertical divergence (DIVV) 0.000
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
    1     Post refinement was not performed for this image
    2     -0.01    -0.03    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.040   436
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    3      0.00    -0.04    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.038   944
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    4      0.00    -0.04    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.037  1460
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    5      0.00    -0.04    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.034  1520
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    6      0.00    -0.04    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.033  1523
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    7      0.00    -0.04    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.034  1523
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    8      0.00    -0.04    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.034  1513
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
    9      0.00    -0.04    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.033  1482
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
    10   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.043     0.7    1490   3741     1  1159   40   15.8     0.7    0.050    8   3.2
    11   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.040     0.7    1492   3768     0  1158   42   17.0     0.9    0.014   16   2.0
    12   0.00   0.02    0.00  174.7  1.000     5    20  -0.03   0.01  0.040     0.7    1463   3764     0  1158   35   15.9     0.9    0.048    6   2.5
    13   0.00   0.01    0.00  174.7  1.000     5    19  -0.02   0.01  0.042     0.9    1511   3700     1  1154   39   15.4     0.7    0.066   18   2.5
    14   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.040     0.6    1449   3779     0  1168   36   16.5     0.5    0.029   12   2.0
    15   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.043     0.8    1505   3753     0  1197   40   15.6     0.7    0.053    8   1.8
    16   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.043     0.8    1495   3691     0  1179   40   15.8     0.9    0.100    6   1.8
    17   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.040     0.7    1476   3750     0  1156   34   16.5     0.8    0.114   26   1.5
    18   0.00   0.03    0.00  174.7  1.000     5    19  -0.03   0.01  0.038     0.7    1485   3752     0  1159   38   15.1     0.7    0.139   29   2.3


 RESULTS OF POSTREFINEMENT
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
   10      0.00    -0.05    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1516
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   11      0.00    -0.05    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.029  1574
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   12      0.00    -0.05    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1550
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   13      0.00    -0.05    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1557
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   14      0.00    -0.05    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1511
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   15      0.00    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1569
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   16      0.00    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.030  1499
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   17     -0.01    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.031  1509
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   18     -0.01    -0.06    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.031  1489
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
    19   0.00   0.01    0.00  174.7  1.000     5    19  -0.03   0.01  0.045     1.0    1518   3737     0  1190   36   15.5     0.6    0.097   16   1.8
    20   0.00   0.02    0.00  174.7  1.000     5    19  -0.03   0.01  0.041     0.6    1447   3748     0  1158   32   15.5     0.6    1.337    8   1.4
    21   0.00   0.01    0.00  174.7  1.000     5    19  -0.02   0.01  0.038     0.7    1490   3737     1  1145   40   15.3     0.5    0.034   16   1.1
    22   0.00   0.01    0.00  174.6  1.000     5    19  -0.02   0.01  0.042     0.8    1415   3849     2  1232   33   14.8     0.4    1.122   20   1.3
    23   0.00   0.01    0.00  174.6  1.000     5    19  -0.03   0.01  0.043     0.9    1384   3914     1  1250   34   14.3     0.6    0.308   40   2.3
    24   0.00   0.03    0.00  174.6  1.000     5    19  -0.02   0.01  0.038     0.8    1485   3781     0  1184   35   15.1     0.8    0.404   30   1.5
    25   0.00   0.02    0.00  174.6  1.000     5    19  -0.02   0.01  0.045     0.9    1442   3768     1  1193   37   14.2     0.6    0.157   32   1.4
    26   0.00   0.02    0.00  174.6  1.000     5    19  -0.02   0.01  0.039     0.8    1488   3817     0  1212   40   16.0     0.6    0.040   30   1.9
    27   0.00   0.02    0.00  174.6  1.000     5    19  -0.03   0.01  0.044     1.0    1458   3730     1  1237   34   15.0     0.8    0.336   24   1.5


 RESULTS OF POSTREFINEMENT
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
   19      0.00    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.36   0.00   0.00   0.031  1535
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   20      0.00    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.031  1556
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   21      0.00    -0.06    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.032  1489
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   22     -0.01    -0.07    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.031  1468
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   23     -0.01    -0.07    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.030  1500
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   24     -0.01    -0.07    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.031  1540
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   25     -0.01    -0.07    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.032  1565
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   26     -0.01    -0.08    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.033  1532
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   27     -0.01    -0.08    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.37   0.00   0.00   0.032  1507
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
    28   0.00   0.01    0.00  174.6  1.000     5    19  -0.02   0.01  0.044     0.8    1501   3778     1  1212   42   15.3     0.5    0.035   22   1.3
    29   0.00   0.02    0.00  174.6  1.000     5    20  -0.03   0.01  0.041     0.7    1409   3887     0  1201   44   14.6     0.9    0.214   24   1.5
    30   0.00   0.02    0.00  174.6  1.000     5    20  -0.03   0.01  0.045     1.0    1411   3905     1  1216   37   14.6     1.1    0.087   16   1.1
    31   0.00   0.02    0.00  174.6  1.000     5    20  -0.02   0.01  0.045     0.8    1412   3861     0  1228   37   14.2     0.8    0.157   18   1.5
    32   0.00   0.02    0.00  174.6  1.000     5    20  -0.03   0.01  0.045     0.8    1391   3961     1  1266   34   14.2     0.7    0.044   18   1.5
    33   0.00   0.02    0.00  174.6  1.000     5    20  -0.03   0.01  0.046     0.7    1385   4041     0  1267   31   15.7     1.0    0.033   22   1.5
    34   0.00   0.03    0.00  174.6  1.000     5    20  -0.03   0.01  0.045     0.9    1336   4037     0  1277   36   14.3     0.4    0.031   16   1.8
    35   0.00   0.02    0.00  174.6  1.000     5    19  -0.03   0.01  0.051     1.0    1341   4035     0  1255   28   15.0     0.8    0.036   18   1.7
    36   0.00   0.04    0.00  174.6  1.000     5    19  -0.03   0.01  0.049     0.8    1339   4014     0  1256   28   14.2     0.9    0.060   16   1.2


 RESULTS OF POSTREFINEMENT
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
   28     -0.01    -0.08    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.030  1462
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   29     -0.01    -0.08    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.031  1494
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   30     -0.01    -0.09    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.032  1570
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   31     -0.01    -0.09    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.032  1637
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   32     -0.01    -0.09    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.033  1607
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   33     -0.01    -0.09    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.38   0.00   0.00   0.032  1595
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   34     -0.01    -0.09    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.031  1580
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   35     -0.01    -0.09    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.032  1619
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   36     -0.01    -0.10    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.033  1586
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
    37   0.00   0.02    0.00  174.6  1.000     5    19  -0.03   0.01  0.049     0.8    1402   4002     1  1321   38   13.7     0.8    0.026   14   2.1
    38   0.00   0.03    0.00  174.7  1.000     5    19  -0.03   0.01  0.052     0.8    1341   4007     0  1313   41   14.7     0.5    0.160   20   1.6
    39   0.00   0.02    0.00  174.6  1.000     5    18  -0.03   0.01  0.038     0.9    1375   4049     1  1327   36   14.0     0.7    0.049   14   1.7
    40   0.00   0.02    0.00  174.6  1.000     5    18  -0.03   0.01  0.039     0.8    1361   4070     1  1337   36   13.9     0.6    0.072   18   1.4
    41   0.00   0.03    0.00  174.6  1.000     5    18  -0.03   0.01  0.043     0.9    1321   4130     0  1281   42   14.0     0.5    0.159   16   1.9
    42   0.00   0.02    0.00  174.6  1.000     5    18  -0.03   0.01  0.042     0.8    1311   4154     0  1227   34   14.1     0.4    0.086    6   3.3
    43   0.00   0.02    0.00  174.6  1.000     5    18  -0.03   0.01  0.047     0.7    1344   4133     0  1346   31   13.7     0.5    0.097    6   1.5
    44   0.00   0.03    0.00  174.6  1.000     5    18  -0.03   0.01  0.041     0.7    1324   4152     1  1360   42   13.8     0.4    0.068  446   1.6
    45   0.00   0.02    0.00  174.6  1.000     5    18  -0.03   0.01  0.043     0.8    1308   4189     1  1303   44   13.4     0.6    0.191   14   2.3


 RESULTS OF POSTREFINEMENT
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
   37     -0.02    -0.10    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.033  1653
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   38     -0.02    -0.09    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.032  1659
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   39     -0.02    -0.10    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.39   0.00   0.00   0.033  1659
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   40     -0.02    -0.10    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.40   0.00   0.00   0.033  1577
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   41     -0.02    -0.10    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.40   0.00   0.00   0.034  1562
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   42     -0.03    -0.10    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.40   0.00   0.00   0.034  1592
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   43     -0.03    -0.10    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.40   0.00   0.00   0.034  1631
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   44     -0.03    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.41   0.00   0.00   0.033  1634
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   45     -0.03    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.41   0.00   0.00   0.034  1634
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00



 *** WARNING *** No attempt will be made to measure overloaded reflections
 Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
 IMAGE    CCX    CCY    CCOM   DIST YSCALE  TILT TWIST   ROFF   TOFF  RESID  WRESID    FULL   PART   OVRL  NEG  BAD  I/SIGI  I/SIGI   Rsym  Nsym SDRAT
                                                                                                             overall (at 1.1A)
    46   0.00   0.03    0.00  174.6  1.000     5    19  -0.02   0.01  0.045     0.8    1328   4127     1  1303   27   15.4     0.9    0.044   14   3.6
    47   0.00   0.03    0.00  174.6  1.000     5    19  -0.03   0.01  0.047     0.8    1314   4163     1  1372   40   14.6     0.3    0.033   22   2.6
    48   0.00   0.02    0.00  174.6  1.000     5    19  -0.03   0.01  0.045     0.9    1264   4211     1  1340   45   14.0     1.0    0.139   20   2.4
    49   0.00   0.03    0.00  174.6  1.000     4    19  -0.03   0.01  0.044     0.8    1289   4168     0  1303   34   14.7     0.6    0.040   14   3.5
    50   0.00   0.02    0.00  174.6  1.000     4    19  -0.03   0.01  0.043     0.8    1322   4183     0  1343   35   14.8     0.5    0.253   24   2.3
    51  -0.01   0.02    0.00  174.6  1.000     4    20  -0.03   0.01  0.045     0.8    1262   4280     1  1340   37   13.8     0.3    0.164   18   4.3
    52   0.00   0.02    0.00  174.6  1.000     4    20  -0.03   0.01  0.050     0.6    1198   4379     0  1353   34   13.3     0.7    0.357   12   4.3
    53   0.00   0.02    0.00  174.6  1.000     5    20  -0.03   0.01  0.046     0.8    1203   4433     1  1432   29   14.5     0.8    0.161   14   5.1


 RESULTS OF POSTREFINEMENT
 Image     PHIX     PHIY     PHIZ        A        B        C      ALPHA     BETA    GAMMA   MOSAIC   DIVH   DIVV    Resid      NR
   46     -0.03    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.41   0.00   0.00   0.033  1628
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   47     -0.03    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.41   0.00   0.00   0.034  1642
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   48     -0.03    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.42   0.00   0.00   0.035  1612
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   49     -0.04    -0.11    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.42   0.00   0.00   0.035  1604
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   50     -0.04    -0.12    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.42   0.00   0.00   0.036  1608
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   51     -0.03    -0.12    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.43   0.00   0.00   0.036  1614
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   52     -0.04    -0.12    -0.03     65.69   65.69   47.12   90.00   90.00   90.00    0.43   0.00   0.00   0.037  1634
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00
   53     -0.03    -0.12    -0.04     65.69   65.69   47.12   90.00   90.00   90.00    0.43   0.00   0.00   0.038  1692
    sds PSIY   0.00 PSIZ   0.00      0.00    0.00    0.00    0.00    0.00    0.00    0.00   0.00   0.00


 *** Warning messages ***

 *** SERIOUS PROBLEMS ***
 ========================
 The following problems may have a significant effect on data quality
 Action should be taken to eliminate these warnings.

 ERROR IN DETECTOR GAIN
 ======================
 The ratio of the observed variation in background pixels to that
 expected statistically (the BGRATIO) lies outside the range 0.9 to 1.1.
 Actual values: minimum:  0.81  maximum:  0.82
 The most likely explanation is that the GAIN of the detector is incorrect.
 The current GAIN is 1.00 but the observed BGRATIO suggests it should be
 set to 0.66.
 NOTE however that diffuse scatter can lead to an increased value of BGRATIO
 even when the gain is correct.
 Since the gain for any detector should remain constant, it should be worked out
 for a crystal giving strong diffraction and "clean" spots (ie no disorder or
 diffuse scatter)and kept at this value.
 Processing data with an incorrect gain will result in a systematic 
 overestimate of very weak reflections and incorrect standard deviations.


 *** PROBLEMS WORTH CONSIDERING ***
 ==================================
 The following warnings suggest that the processing might be improved
 if appropriate action is taken.

 EXCESSIVE NUMBER OF BADSPOTS
 ============================
 At least some images have rather a lot of badspots (Maximum number  45)
 They are rejected on the basis of: 
 1) Poor profile fit (PKRATIO >3, controlled by REJECTION PKRATIO).
 2) Too large a BGRATIO (too much background variation, controlled by
    REJECTION BGRATIO).
 3) Too large a background gradient (controlled by REJECTION GRADMAX)
 4) Intensity negative and more than 5 sigma.
 Look at the list of badspots to see what category they fall under.

 Not defining the backstop shadow can give large background plane gradients.
 Very intense images can have unusually large gradients, GRADMAX may have to
 be changed from the default
 A pixel dump of the BADSPOTS can be obtained using REJECTION PLOT
 if the reason for their rejection is not clear


 POOR PROFILES IN SOME AREAS
 ===========================
 For 15 profiles the correlation coefficient with the central profile is less than 0.5.
 Smallest correlation coefficient is  0.05
 Possible reasons are:
 1) Very weak diffraction (consider cutting back the resolution)
 2) Errors in cell parameters (check DELX, DELY for the standard profiles).
 3) Genuine variation due to high obliquity (for example).
 4) Presence of zingers or spots from an ice or salt crystal which are much
 stronger than the protein spots. Sometimes these can be rejected using
 the PROFILE CUTOFF keywords.

 A low correlation does NOT necessarily mean that the processing needs to be changed.

 The image number, profile box number and correlation coefficient for
 up to the first 6 occurences are:
   ID BOX CORRLN     ID BOX CORRLN     ID BOX CORRLN     ID BOX CORRLN   
    1   6   0.29      1  11   0.13     10   6   0.23     10  11   0.08
   10  24   0.47     19   6   0.10


 *** THE FOLLOWING ARE MAINLY FOR INFORMATION ***
 ================================================
 In some cases it may be possible to change the processing to eliminate
 some of these warnings.

 SPOT OVERLAP
 ============
 Adjacent spots overlap. This will produce systematic errors in the intensities.
 Note that this warning will arise even if only one pair of spots in
 one area of the detector overlap. Look at the standard profiles to see how
 serious the overlap is.
 The minimum allowed spot separation (SEPARATION keyword) was  0.8 1.0mm.
 The actual spot size determined by the mask optimisation is 0.8 by 1.1mm
 in the centre of the image and the largest spot size is 2.3 by 2.9mm.
 The separation given should be at least as large as the spot size
 in the centre of the image (keyword SEPARATION).
 Check standard profiles carefully to ensure that the optimisation of the
 raster parameters has worked correctly.
 The effective size of the spots can be controlled by PROFILE TOLERANCE 
 keywords. If the peak regions look too large (ie they include too much of the
 tails of the spot), try increasing TOLERANCE (current value 0.030) by
 eg 0.005 and see if profiles look better.
 (Increasing TOLERANCE will decrease spot size).
 As a last resort the profile optimisation can be turned off using keywords
 PROFILE NOOPT.

 In cases of serious overlap, (ie if the pattern is very dense), then the
 SEPARATION CLOSE option should be used (eg SEPARATION  1.0 1.0 CLOSE)
 and it may also help to suppress profile optimisation in these cases
 (PROFILE NOOPT)keyword. See help library for details.

 AVERAGING OF STANDARD PROFILES
 ==============================
 Profile averaging has been performed for some of the standard profiles.
 If possible this should be avoided, eg by accumulating the profiles
 over more images (BLOCK parameter on PROCESS keyword).
 Do not attempt to process spots that are not really there !
 If profiles are being averaged because the RMSBG is too high, but 
 this is because of diffuse scatter, it is best to increase the maximum 
 allowed RMSBG (default value 20.0): PROFILE RMSBG 25 (for example).

 TOO MANY BACKGROUND PIXELS OVERLAPPED BY NEIGHBOURING SPOTS
 ===========================================================
 For some of the standard profiles, more than half the background pixels are
 flagged as being overlapped by neighbouring spots (in the worst case,  86.1%
  are overlapped).
 You should use the SEPARATION CLOSE keywords, eg SEPARATION 1.0 1.0 CLOSE
 Refined detector parameters:
For inline graphs use a Java browser
 Post refinement:
For inline graphs use a Java browser
 Elven plots:
For inline graphs use a Java browser