MCS2016

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

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
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