Quality Control: Difference between revisions

Quality Control (view source)

Revision as of 19:00, 22 January 2008

1,242 bytes added , 22 January 2008

→‎PulG (good 2-wavelength MAD data @ 2.8 A)

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 Reference: Köhler, R., Schäfer, K., Müller, S., Vignon, G., Diederichs, K., Philippsen, A., Ringler, P., Pugsley, A.P., Engel, A., Welte, W. (2004) Structure and assembly of the pseudopilin PulG. ''Molecular Microbiology'' '''54''', 647-664.
 [http://dx.doi.org/10.1111/j.1365-2958.2004.04307.x]
+=== XDS.INP for remote high data ===
+ JOB=XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
+ ! for this experiment:
+ ORGX=1031 ORGY=1001
+ DETECTOR_DISTANCE=220
+ OSCILLATION_RANGE=1
+ X-RAY_WAVELENGTH=0.97857
+ NAME_TEMPLATE_OF_DATA_FRAMES=images/pulg_semet_D22_2_???.img DIRECT  TIFF
+ DATA_RANGE=5 124
+ SPOT_RANGE=5 124
+ SPACE_GROUP_NUMBER=179
+ UNIT_CELL_CONSTANTS= 85.5   85.5  145.2  90 90 120
+ FRIEDEL'S_LAW=FALSE
+ STRICT_ABSORPTION_CORRECTION=TRUE
+ ! parameters with changes wrt default values:
+ VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=8000. 30000.
+ MINIMUM_ZETA=0.05
+ INCLUDE_RESOLUTION_RANGE=50 0
+ STRONG_PIXEL=6
+ BACKGROUND_RANGE=1 10
+ ! parameters specifically for this detector and beamline:
+ NX=2048 NY=2048 QX=0.079092  QY=0.079092   !MARCCD 165mm version
+ DETECTOR=CCDCHESS        MINIMUM_VALID_PIXEL_VALUE=0     OVERLOAD=65000
+ DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
+ DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
+ INCIDENT_BEAM_DIRECTION=0 0 1
+ ROTATION_AXIS=1 0 0
+ FRACTION_OF_POLARIZATION=0.99
+ POLARIZATION_PLANE_NORMAL=0 1 0
+=== XDS.INP for inflection point data ===
+same as above, except
+ X-RAY_WAVELENGTH=0.97972
+ NAME_TEMPLATE_OF_DATA_FRAMES=images/pulg_semet_D22_3_???.img DIRECT  TIFF
+ DATA_RANGE=1 120
+ SPOT_RANGE=1 120