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2QVO.xds: Difference between revisions
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(New page: ==XDS data reduction== This is a pared-down XDS.INP (obtained by egrep -v '^ *!' XDS.INP) based upon XDS-MARCDD.INP from the XDS distribution site - it has only those lines that are not ...) |
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FRACTION_OF_POLARIZATION=0.95 !default=0.5 for unpolarized beam | FRACTION_OF_POLARIZATION=0.95 !default=0.5 for unpolarized beam | ||
POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 | POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 | ||
SPACE_GROUP_NUMBER= | SPACE_GROUP_NUMBER=0 !0 for unknown crystals; cell constants are ignored. | ||
UNIT_CELL_CONSTANTS= 53 53 41 90 90 90 | UNIT_CELL_CONSTANTS= 53 53 41 90 90 90 | ||
FRIEDEL'S_LAW=FALSE !Default is TRUE. | FRIEDEL'S_LAW=FALSE !Default is TRUE. | ||
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WFAC1=1.5 !This controls the number of rejected MISFITS in CORRECT; a larger value leads to fewer rejections. | WFAC1=1.5 !This controls the number of rejected MISFITS in CORRECT; a larger value leads to fewer rejections. | ||
STRONG_PIXEL=6.0 !used by: COLSPOT | STRONG_PIXEL=6.0 !used by: COLSPOT | ||
The resulting output files are XYCORR.LP, INIT.LP, COLSPOT.LP, IDXREF.LP, DEFPIX.LP, INTEGRATE.LP and CORRECT.LP. Data files are XPARM.XDS (from IDXREF), GXPARM.XDS (from CORRECT), and the *.cbf files all of which can be downloaded from here. | |||