MCS2016: Difference between revisions
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As noted at https://zenodo.org/record/45756 , XDS.INP should be | As noted at https://zenodo.org/record/45756 , XDS.INP should be | ||
<pre> | <pre> | ||
! XDS.INP from https://zenodo.org/record/45756 | |||
DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 | DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 | ||
DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 | DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 | ||
| Line 22: | Line 23: | ||
SPACE_GROUP_NUMBER=20 | SPACE_GROUP_NUMBER=20 | ||
UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000 | UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000 | ||
DATA_RANGE=1 180 | DATA_RANGE=1 180 ! actually there are 200 | ||
BACKGROUND_RANGE=1 6 | BACKGROUND_RANGE=1 6 | ||
SPOT_RANGE=1 3 | SPOT_RANGE=1 3 | ||
Revision as of 22:15, 4 April 2016
some notes concerning the datasets :
the datasets in the DIALS-data directory can be downloaded from:
https://zenodo.org/record/10271 https://zenodo.org/record/45756
Please note that generate_XDS.INP does not currently produce a working XDS.INP for the second of these!
As noted at https://zenodo.org/record/45756 , XDS.INP should be
! XDS.INP from https://zenodo.org/record/45756 DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 TRUSTED_REGION=0.0 1.05 ORGX= 1582.82 ORGY= 1485.54 DETECTOR_DISTANCE= 150 ROTATION_AXIS= -1.0 0.0 0.0 OSCILLATION_RANGE=1 X-RAY_WAVELENGTH= 1.2821511 INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 FRACTION_OF_POLARIZATION=0.90 POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 SPACE_GROUP_NUMBER=20 UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000 DATA_RANGE=1 180 ! actually there are 200 BACKGROUND_RANGE=1 6 SPOT_RANGE=1 3 SPOT_RANGE=31 33 MAX_CELL_AXIS_ERROR=0.03 MAX_CELL_ANGLE_ERROR=2.0 TEST_RESOLUTION_RANGE=8.0 3.8 MIN_RFL_Rmeas= 50 MAX_FAC_Rmeas=2.0 VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 6000 30000 INCLUDE_RESOLUTION_RANGE=50.0 1.7 FRIEDEL'S_LAW= FALSE STARTING_ANGLE= -100 STARTING_FRAME=1 NAME_TEMPLATE_OF_DATA_FRAMES= /home/mx2016/MX-tutorials/DIALS-data/x247398/t1.????.img