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. 2023 Aug 16;79(Pt 9):796–805. doi: 10.1107/S2059798323005776

Table 1. Flags used in Careless .

Flag Default Description
--test-fraction 0.0 Fraction of the data held out for cross-validation
--merge-half-datasets If True, merge pairs of random half data sets separately after training. Generates output files for estimating CC1/2.
--half-dataset-repeats 1 Number of half-data-set merging repeats. Used to estimate the uncertainty of CC1/2.
-d, --dmin None Set maximum resolution in Å. By default, merge reflections to the maximum input resolution.
--separate-files False Create an individual output file for each input MTZ. If True, data are scaled together and merged separately.
--studentt-likelihood-dof None Invoke Student’s t-distributed error model and set its degrees of freedom
--refine-uncertainties Use the model in Evans (2011) to adjust the Inline graphic
--positional-encoding-frequencies 4 Number of positional encoding (Zhong et al., 2019; Mildenhall et al., 2020) frequencies for metadata. Use with mlp-width to limit memory use. Default encodes all columns. For sepcific columns, see --positional-encoding-keys.
--positional-encoding-keys None Provide comma-separated metadata keys for positional encoding
--anomalous Merge Friedel mates separately
--wilson-prior-b None Learn reflections on a specific global Wilson scale. The default Wilson prior is flat across all resolutions.
--mlp-layers 20 Number of neural network layers
--mlp-width None Width of hidden layers in the neural net; defaults to the dimensionality of the metadata array
--image-layers 0 Add additional layers with local, image-specific parameters
--disable-image-scales Do not learn a scalar, per-image scale parameter
-w, --wavelength-key Wavelength For polychromatic data, the MTZ column name corresponding to reflections’ peak wavelength