DEF pre-mac-2.lmb.internal pre 0.0.3 aimless 14:53 22/Jan/14 CUnmergedMtzDataFile False CObsDataFile CPdbDataFile {'subType': '2'} CXmlDataFile CString CList CMtzDataFile CList CUnmergedMtzDataFile CList CDataFile sca Scalepack merged data file CList CUnmergedDataFile sca Scalepack "output nomerge original index" format *? *? CDataFile scales CDataFile log False CXmgrDataFile False CXmgrDataFile False CXmgrDataFile False CXmgrDataFile False CFloatRange Set resolution range (or just high resolution) to cut data for all steps CString Reflection list,Coordinates True HKL,XYZ Reflection list or coordinate list HKL CBoolean False 3 CString True MERGED,UNMERGED,SP_MERGED,SP_UNMERGED MERGED CBoolean False Accept observations flagged as overloaded CBoolean False Accept observations flagged as on edge of tile or detector CBoolean False Accept observations flagged outliers (MISFIT) by XDS CString with automatic default settings,constant within run,on rotation axis,on rotation axis with secondary beam correction,on rotation axis with secondary beam absorption correction,by batch mode [deprecated],No scaling only merge True DEFAULT,CONSTANT,ROTATION,SECONDARY,BATCH,ONLYMERGE define scaling protocol for all runs DEFAULT CBoolean True switch relative B-factor scaling on CString rotation interval,number of bins True SPACING,NBINS spacing for scales along primary beam SPACING CFloat 5.0 None spacing in degrees CInt 1 number of primary scales CString rotation interval,number of bins True SPACING,NBINS spacing for B-factors along primary beam SPACING CFloat 5.0 None spacing in degrees CInt 1 number of primary scales CInt 4 None number of spherical harmonic terms (eg 4 - 6) CString automatic,no tile correction,CCD [default] True DEFAULT,NONE,CCD automatically on for 3x3 ADSC detectors DEFAULT CInt number of tiles on X CInt number of tiles on Y CBoolean False override default outlier rejection CFloat 5.0 5 maximum allowed E to exclude unreasonably large intensities CFloat 6.0 None for >2 observations, reject if more than this SDs 5 CFloat 6.0 None for 2 observations, reject if more than this SDs 5 CFloat 8.0 None for differences between I+ and I-, reject if more than this SDs 5 CBoolean True None increase rejection threshold for large anomalous differences CBoolean True None test for rejections across datasets CString True automatic,explicit batch ranges,by file (for Pointless) AUTO,BYRANGE,BYFILE AUTO CRunBatchRangeList CBoolean False Override default SDcorrection CBoolean True None False Refine SDcorrection parameters CBoolean False False Fix sdB parameters CString True INDIVIDUAL,SAME,SIMILAR individual,same,similar INDIVIDUAL None use different, same or similar SDfactors for each run CFloat 0.05 damping factor in SD refinement CFloat 7 None None 0.05 None SD(sdFac) for similarity CFloat 3.0 None SD(sdB) for similarity 7 CFloat 0.04 None SD(sdAdd) for similarity 7 CBoolean False Set SD correction factors CFloat 7 None None 1.0 None sdFac CFloat 7 None 0.0 None sdB CFloat 7 None 0.03 None sdAdd CFloat 20.0 None restraint on sdB value 7 CBoolean CString True COMBINE,PROFILE,SUMMATION combined intensities,profile-fitted intensities,summation intensities COMBINE choose how to use partially-recorded observations None CBoolean True None accept partials with total fraction between these limits CFloat 0.95 7 CFloat 1.05 7 None CBoolean True None check consistency of MPART flags from Mosflm CBoolean False None scale partials which fall below the TEST limit CFloat 0.5 ...down to a minimum fraction None 7 CBoolean False None Details of scaling CBoolean False None False Set number of cycles for scale refinement CInt 10 None Set number of cycles for scale refinement 5 CBoolean False None set minimum I/sd for 1st round scaling CFloat 3.0 7 set minimum I/sd for 1st round scaling CBoolean False set minimum E for 2nd round scaling CFloat 1.0 7 set minimum E for 2nd round scaling None CBoolean False None Restrain successive primary beam scales together CFloat 0.05 7 Restrain successive primary beam scales together with this SD CBoolean False None Restrain successive B-factors together CFloat 0.05 7 Restrain successive B-factors together with this SD CBoolean True None Restrain secondary beam scales to sphere CFloat 0.001 7 Restrain secondary beam scales to sphere with this SD CBoolean Tie B-factors to zero CFloat 10.0 None Tie B-factors to zero 7 CBoolean False Only merge