4b393082d4d74a11dbfcd07c2ebe2fcdf7778689
2
Commits
| Author | SHA1 | Message | Date | |
|---|---|---|---|---|
  leonarski_fandClaude Opus 4.8
|
a773aaa6a9 |
WriteReflections: write merging statistics + ISa to the mmCIF output
Build Packages / build:windows:cuda (push) Failing after 2m40s
Build Packages / build:windows:nocuda (push) Failing after 2m40s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m47s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m42s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m46s
Build Packages / build:rpm (rocky8) (push) Successful in 14m52s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 15m10s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 15m5s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 15m47s
Build Packages / Unit tests (push) Failing after 19m1s
Build Packages / Generate python client (push) Successful in 32s
Build Packages / Build documentation (push) Successful in 1m0s
Build Packages / Create release (push) Skipped
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m54s
Build Packages / XDS test (durin plugin) (push) Successful in 8m7s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m24s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m5s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m4s
Build Packages / build:rpm (rocky9) (push) Successful in 12m58s
Build Packages / DIALS test (push) Successful in 12m32s
The .cif (--scaling-output cif) now carries the per-shell and overall merging statistics in the standard _reflns / _reflns_shell categories (resolution, redundancy, completeness, <I/sigma>, R-rim/R-meas, CC1/2) plus the Diederichs asymptotic I/sigma (ISa) as a free-text _reflns.pdbx_diffrn_ISa item (no standard CIF tag exists). The MergeStatistics and the ISa string are threaded through WriteReflections to the mmCIF writer; jfjoch_process and jfjoch_scale pass them. Values match the text statistics table. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com> |
||
|
leonarski_f
|
fc68a9baed |
v1.0.0-rc.146 (#56)
Build Packages / Unit tests (push) Skipped
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 8m34s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 10m0s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m23s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 10m23s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 11m16s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 11m49s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 8m32s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 9m15s
Build Packages / XDS test (durin plugin) (push) Successful in 7m16s
Build Packages / Generate python client (push) Successful in 16s
Build Packages / build:rpm (rocky9) (push) Successful in 10m12s
Build Packages / Create release (push) Skipped
Build Packages / Build documentation (push) Successful in 47s
Build Packages / DIALS test (push) Successful in 10m18s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 5m46s
Build Packages / build:rpm (rocky8) (push) Successful in 1h41m2s
Build Packages / XDS test (neggia plugin) (push) Successful in 1h59m18s
This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144. jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset. jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling. jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file. jfjoch_scale: Dedicated tool for rescaling/merging existing data. jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel. WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being. Reviewed-on: #56 |