IDXREF.LP

IDXREF.LP is the logfile of the IDXREF "job". It reports on aspects of the analysis of difference vectors, the lattice(s) encountered, their interpretation in terms of 44 Bravais lattices, and the refinement of all geometric parameters of the experiment based on the strong reflections identified in the SPOT_RANGE by COLSPOT.

In the following, extracts from a typical IDXREF.LP are shown, together with comments, in the order as they occur.

Listing of parameter values used for indexing

INPUT PARAMETER VALUES
----------------------
NAME_TEMPLATE_OF_DATA_FRAMES=../kb/G3-16mer-A2-1_1_???.img TIFF
STARTING_ANGLE=        0.0000     STARTING_FRAME=       1
NX=  3072  NY=  3072    QX=  0.073242  QY=  0.073242
ROTATION_AXIS=  1.000000  0.000000  0.000000
OSCILLATION_RANGE=    1.0000
X-RAY_WAVELENGTH=       1.000000
INCIDENT_BEAM_DIRECTION=  0.000000  0.000000  1.000000
DIRECTION_OF_DETECTOR_X-AXIS=   1.00000   0.00000   0.00000
DIRECTION_OF_DETECTOR_Y-AXIS=   0.00000   1.00000   0.00000
DETECTOR_DISTANCE=   349.994
ORGX=   1532.00  ORGY=   1566.00
INDEX_MAGNITUDE=   8    INDEX_ERROR=   0.050    INDEX_QUALITY=  0.80
SEPMIN=  6.00    CLUSTER_RADIUS=     3
MAXIMUM_ERROR_OF_SPOT_POSITION=   3.0
MAXIMUM_ERROR_OF_SPINDLE_POSITION=   2.0
SPACE GROUP AND CELL PARAMETERS ARE UNKNOWN

The values shown are taken from XDS.INP, or if not given there, the defaults are output. "SPACE GROUP AND CELL PARAMETERS ARE UNKNOWN" means that XDS.INP had SPACE_GROUP_NUMBER=0

Which data were used for indexing?

AUTOINDEXING IS BASED ON   4043 SPOTS
LOCATED IN THE TRUSTED_REGION= 0.00 1.20 OF THE DETECTOR
OF THE FOLLOWING DATA IMAGES:
SPOT_RANGE=       1      90

Obviously the data were produced by COLSPOT, and are read from SPOT.XDS