Known Bugs: Difference between revisions

Known Bugs (view source)

732 bytes removed , 4 February 2013

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-* The October 2007 and the November 2007 versions do not evaluate DATA_RANGE= in the CORRECT step. The August 2007 version, and versions since December 2007 do.
+* XDSCONV uses a default of WILSON_STATISTICS=FALSE , contrary to what the documentation says, and contrary to what one usually wants. This leads to errors in the amplitudes of weak reflections.
-* The June and July 2008 versions suffer from a bug in the CORRECT step: the correlation coefficient against a reference data set is always 0.00, and therefore sometimes the wrong decision is made concerning re-indexing of the data. Example taken from CORRECT.LP produced with xds_par:
- CORRELATION  NPAIR  Rmeas  COMPARED  ESD       REINDEX TRANSFORMATION
-.00211818312   25.1   53803    1.65  1  0  0  0  0  1  0  0  0  0  1  0
-  *   0.00260052808   25.1   53803    1.65  1  1  0  0 -1  0  0  0  0  0  1  0
-whereas xds produces the correct output:
- CORRELATION  NPAIR  Rmeas  COMPARED  ESD       REINDEX TRANSFORMATION
-  *   0.89     5960   25.1   53803    1.65  1  0  0  0  0  1  0  0  0  0  1  0
-.06     5960   25.1   53803    1.65  1  1  0  0 -1  0  0  0  0  0  1  0
-For me, xds_par produced the problem, but not xds.
-This is fixed in XDS versions starting September 2008.
+This bug does affect the CCP4 and CCP4_F output file types.
+The workaround is to specify
+ WILSON_STATISTICS=TRUE
+in XDSCONV.INP