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merge-help.txt
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26 lines (25 loc) · 1.36 KB
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$ gemmi merge -h
Usage:
gemmi merge [options] INPUT_FILE OUTPUT_FILE
gemmi merge --stats [options] UNMERGED_FILE
gemmi merge --compare [options] UNMERGED_FILE MERGED_FILE
gemmi merge --compare [options] MMCIF_FILE_WITH_BOTH
Options:
-h, --help Print usage and exit.
-V, --version Print version and exit.
-v, --verbose Verbose output.
--anom Output/compare I(+) and I(-) instead of IMEAN.
--no-sysabs Remove systematic absences.
--batch-cell Use cell parameters from MTZ batch headers.
--nobs Add MTZ column NOBS with the number of merged
reflections.
--input-block=NAME Input mmCIF block name (default: first unmerged).
-b NAME, --block=NAME Output mmCIF block name: data_NAME (default: merged).
--stats[=N] Print data metrics in N resol. shells (default: 10).
Add U (e.g. =10U or =U) for unweighted metrics.
Add X for XDS-like weighted metrics (details in docs).
Add s or e for different binning (more in docs).
--compare Compare unmerged and merged data (no output file).
--print-all Print all compared reflections.
The input file can be SF-mmCIF with _diffrn_refln, MTZ or XDS_ASCII.HKL.
The output file can be either SF-mmCIF or MTZ.