# Dataset table for rugnux_stills_ab.py -- TEMPLATE. # # Columns: # alias master.h5 start end stride dmin dmax [extra rugnux args] # # This file ships with NO real dataset paths, and none should be added to it. A dataset # directory name identifies a sample, and so does a run label or a pump-probe parameter in a # filename. Keep your own table outside the repository and point the harness at it: # # ./rugnux_stills_ab.py --config ~/my_stills_datasets.tsv --workdir /somewhere ... # # --config is a required argument with no default, so nothing depends on this file existing. # # Filling a row: # alias a neutral label; it is what appears in the results table. Not the sample. # dmin pin it, do not leave it to the automatic cut-off. Run a calibration pass on the # exact subset first and take the FINER of the two arms' cc-logistic cut-offs, so the # pin clips neither arm and the shell edges - uniform in 1/d^2 between dmax and dmin - # are identical in both. Without this the cut moves between arms and the columns being # compared are not the same shells. # dmax 50, the value XDS configurations use and rugnux's own --scaling-low-resolution default. # subset contiguous (stride 1), not strided: on a spinning disk a stride turns one sequential # read into ten thousand seeks. # -C/-S pin the cell and space group so neither arm can differ by having indexed a different # lattice. For plain lysozyme, the field's standard test specimen, the reference cell # 79.1,79.1,37.9,90,90,90 in P4(3)2(1)2 (-S 96) is the usual choice. # # Example row, with the path left as a placeholder to be filled in locally: # # still_a /path/to/your/dataset_master.h5 0 10000 1 1.66 50 -C 79.1,79.1,37.9,90,90,90 -S 96