Hello all, please consider the following scenario of converting XDS data to MTZ, preserving the rfree flag from an older MTZ file. 1. POINTLESS with input XDS_ASCII.HKL 2. CCP4I-scaling: scala with 'Copy FreeR from another MTZ' option, implicitly using CAD, cad log attached.
I would expect my output cell dimensions to match exactly those in XDS_ASCII.HKL. Should I not? The output cell dimensions, however, match exactly those of the MTZ file that supplied the free flag. In this case, the difference is just a couple 1/100 Angstroms, but could it happen in cases of more severe deviations from isomorphism? Did anyone else come across this behavior? Could it be intended? Best regards, Wolfram Tempel
cad.20130123.log
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