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What are proper labels for `phaselabel` and `FcalcLabel` in `mtz3`? #29

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mysecondnameisdanger opened this issue May 8, 2024 · 0 comments

mysecondnameisdanger commented May 8, 2024 •

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What are proper labels for phaselabel and FcalcLabel in mtz3?

Got many options, I think,

Labels found in mtz file:
H, K, L, I-obs(+), SIGI-obs(+), I-obs(-), SIGI-obs(-), R-free-flags(+), R-free-flags(-), F-obs-filtered(+), SIGF-obs-filtered(+), F-obs-filtered(-), SIGF-obs-filtered(-), F-model(+), PHIF-model(+), F-model(-), PHIF-model(-), ANOM_1, PHANOM_1, 2FOFCWT, PH2FOFCWT, 2FOFCWT_no_fill, PH2FOFCWT_no_fill, FOFCWT, PHFOFCWT, ANOM_2, PANOM_2

Refinement was done with phenix.refine using I(+), SIGI(+), I(-), SIGI(-)

Thanks

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