Resolution analysis: set d_min=None if interpolation error #1378
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If the fitted curve doesn't intersect with the desired limit, then the previous behaviour defaulted to setting d_min as the high resolution limit extent of the input data. In some cases, this would lead to all data being used in subsequent analysis. Better instead to be explicit that we have failed to determine a resolution estimate and set d_min=None.
20 bins is insufficient if the true resolution limit of the data is much lower than the resolution limit to which data were integrated. Better to stick with the default nbins=100.
Codecov Report
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## master #1378 +/- ##
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Coverage 64.60% 64.60%
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Files 616 616
Lines 69861 69864 +3
Branches 9542 9546 +4
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+ Hits 45134 45139 +5
+ Misses 22953 22952 -1
+ Partials 1774 1773 -1 |
ndevenish
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* Set d_min=None if interpolation error If the fitted curve doesn't intersect with the desired limit, then the previous behaviour defaulted to setting d_min as the high resolution limit extent of the input data. In some cases, this would lead to all data being used in subsequent analysis. Better instead to be explicit that we have failed to determine a resolution estimate and set d_min=None. * Don't override default nbins for resolution analysis 20 bins is insufficient if the true resolution limit of the data is much lower than the resolution limit to which data were integrated. Better to stick with the default nbins=100. * Scaling fix for CC½ fit returning None
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ndevenish
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- ``dials.scale``: Prevent discarding of resolution limits in rare cases, which could cause incorrect symmetry determination, and worse results. (#1378) - ``dials.cosym``: filter out experiments with inconsistent unit cells (#1380) - Internally slicing experiments now works if image range doesn't start at 1 (#1383) - Restore missing I/sigma(I) resolution estimate log output (#1384) - ``dials.image_viewer``: "Save As" button now works, for single panels - Fix developer ``libtbx.precommit`` installation error (#1375
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If the fitted curve doesn't intersect with the desired limit, then
the previous behaviour defaulted to setting d_min as the high
resolution limit extent of the input data. In some cases, this
would lead to all data being used in subsequent analysis. Better
instead to be explicit that we have failed to determine a resolution
estimate and set d_min=None.
Don't override default nbins for resolution analysis
20 bins is insufficient if the true resolution limit of the data
is much lower than the resolution limit to which data were integrated.
Better to stick with the default nbins=100.