Hi Fellows,
while reading logs I notice an (apparently inconsequential) error message
using anomalous refinement in Refmac:
OPENED INPUT MTZ FILE
Logical Name: HKLIN Filename:
C:/data/Dropbox/Refinements/ABCD\ABCD_anomalous.mtz
>>>>>> CCP4 library signal mtz:File column type different from type expected
by program (Error)
raised in ccp4_lrassn <<<<<<
From ccp4_lrassn: expected type F does not match file type G for column
F-obs(+)
>>>>>> CCP4 library signal mtz:File column type different from type expected
by program (Error)
raised in ccp4_lrassn <<<<<<
From ccp4_lrassn: expected type Q does not match file type L for column
SIGF-obs(+)
The GUI has no problem recognizing/understanding these G and L label types,
though, and Refmac does its job properly producing fine anomalous maps.
And oddly enough, for F-obs(-) and SIGF-obs(-)the G and L labels are not
considered offending.
So maybe it's not a real error just expecting F and Q .
Best, BR
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Bernhard Rupp
<http://www.hofkristallamt.org/> http://www.hofkristallamt.org/
<mailto:[email protected]> [email protected]
+1 925 209 7429
+43 676 571 0536
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All models are wrong
but some are useful.
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