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# Version 1.0.0 | ||
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+ Effective automation of the procedures described in Kingston and Millane (2022), IUCrJ, 9, 648-665. | ||
+ Envelope and Phase determination steps are parallelized. | ||
+ Envelope and phase determination steps are parallelized. | ||
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# Version 1.1.0 | ||
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Major changes | ||
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+ Envelope comparison and clustering now allows for inversion symmetry. | ||
+ The way the apodization function is specified has changed. | ||
+ Checks on the magnitude of missing terms are now based entirely on the Wilson model. | ||
+ Agreement of the data with the Wilson model is reported. | ||
+ New procedures introduced for controlling the amplitudes of missing data during Fourier space projection onto the constraints | ||
+ A much more flexible method of defining the update rules and constraints was introduced. | ||
+ During DBSCAN clustering of envelopes, "k-distances" are now evaluated. Optionally use the k-distance distribution to set threshold value ε. | ||
+ Internal handling of Fourier data was reworked. Fourier coefficients beyond the current "effective resolution limit" are now removed, speeding up the calculations with heavily apodized data. | ||
+ Ouput from analysis of overall scale and B-factor (method of Rogers) is now reported in the summary log file for the job. | ||
+ Parameterization of the envelope determination has changed, significantly improving algorithm performance. |