export_mtz: don't change basis to reference setting #1279
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This can lead to inconsistencies between the batches, miller indices and the overall mtz space group and unit cell. Fixes # 1278
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This depends on dials/data#190 and dials/data-files#17 for the new test. |
graeme-winter
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Jun 3, 2020
rjgildea
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Jun 29, 2020
This can lead to inconsistencies between the batches, miller indices and the overall mtz space group and unit cell. Test export_mtz works as expected given input in non-reference setting Fixes #1278
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ndevenish
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Jul 6, 2020
Features -------- - Developer tool: On posix systems, sending SIGUSR2 to DIALS commands will now print a stack trace (#1277) Bugfixes -------- - HTML reports: Plot bin centres instead bin minimum for d_min line plots vs. resolution (#1323) - `dials.export`: Fix inconsistency in mtz export when given a non-reference (e.g. I2 or primitive) setting (#1279) - `dials.refine_bravais_settings`: Fix crash with large (>2gb) reflection tables and reduce memory use (#1274) - `dials.scale`: Fix bug in outlier rejection code causing misidentification of outliers (with outlier_rejection=standard). - `dials.scale`: Fix outlier rejection formula to avoid overconfidence in spuriously low values
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This can lead to inconsistencies between the batches, miller indices and the overall mtz space group and unit cell.
Fixes #1278