Re: [ccp4bb] REFERENCE_DATA_SET in XDS-CORRECT

2019-07-23 Thread Kay Diederichs
Hi Wolfram, I don't know why the (seemingly) wrong choice was made; usually this works as expected, so it may be a bug. If you send me just enough to reproduce this (XDS.INP, INTEGRATE.HKL, plus the reference data set) I'll find this out, and fix the bug if there is one. I treat all data as con

[ccp4bb] REFERENCE_DATA_SET in XDS-CORRECT

2019-07-23 Thread wtempel
Hi all, I have a dataset that looks like from (a) primitive hexagonal crystal(s), apparent (from merging stats) point group 32 or may be (twinned?) 3. During CORRECT, I am imposing space group number 143 and specify a REFERENCE_DATA_SET to determine the optimal reindexing operator between two wedge