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rs-booster\n![Build](https://github.com/rs-station/rs-booster/workflows/Build/badge.svg)\n[![PyPI](https://img.shields.io/pypi/v/rs-booster?color=blue)](https://pypi.org/project/rs-booster/)  \n\n`rs-booster` contains commandline scripts for diffraction data analysis tasks.\n\nThis package can be viewed as a \"booster rocket\" for [`reciprocalspaceship`](https://github.com/rs-station/reciprocalspaceship).\n\n\n### Installation\n\nThe fastest way to install `rs-booster` is using pip:\n\n```bash\npip install rs-booster\n```\n\nIf you are interested in getting access to new features that haven't yet made it into a release, you can install `rs-booster` from source:\n\n```bash\ngit clone https://github.com/rs-station/rs-booster.git\ncd rs-booster\npython -m pip install -e .\n```\n\n### Design and usage\n\n`rs-booster` is designed primarily as a command line interface. \nApplications from this package are prefixed with `rs.`.\n\nUsers can **list available commands** by typing `rs.` and double-pressing the `TAB` key. \nEach subprogram is documented using the [argparse library](https://docs.python.org/3/library/argparse.html).\nTo get usage info for a subprogram, use the `-h` or `--help` flag. \nFor instance,\n\n```bash\n$ rs.find_peaks -h\n```\n\nwill print the following\n\n```bash\nusage: rs.find_peaks [-h] -f STRUCTURE_FACTOR_KEY -p PHASE_KEY [-o CSV_OUT] [-z SIGMA_CUTOFF] [-w WEIGHT_KEY] [--sample-rate SAMPLE_RATE] [--min-volume MIN_VOLUME]\n                           [--min-score MIN_SCORE] [--min-peak MIN_PEAK] [-d DISTANCE_CUTOFF] [--use-long-names]\n                           mtz_file pdb_file\n\nSearch an electron density map for peaks in the vicinity of a structure.\n\npositional arguments:\n  mtz_file\n  pdb_file\n\noptions:\n  -h, --help            show this help message and exit\n  -f STRUCTURE_FACTOR_KEY, --structure-factor-key STRUCTURE_FACTOR_KEY\n                        column label of the structure factor you want to use.\n  -p PHASE_KEY, --phase-key PHASE_KEY\n                        column label of the phase you want to use.\n  -o CSV_OUT, --csv-out CSV_OUT\n                        output the report to a csv file\n  -z SIGMA_CUTOFF, --sigma-cutoff SIGMA_CUTOFF\n                        the z-score cutoff for voxels to be included in the peak search. the default is 1.5\n  -w WEIGHT_KEY, --weight-key WEIGHT_KEY\n                        column label of any weights you wish to apply to the map.\n  --sample-rate SAMPLE_RATE\n                        change fft oversampling from the default (3).\n  --min-volume MIN_VOLUME\n                        the minimum volume of peaks with default zero.\n  --min-score MIN_SCORE\n                        the minimum score of peaks with default zero.\n  --min-peak MIN_PEAK   the minimum peak value with default zero.\n  -d DISTANCE_CUTOFF, --distance-cutoff DISTANCE_CUTOFF\n                        the distance cutoff of nearest neighbor search with default of 4 angstroms.\n  --use-long-names      use more verbose column names in the peak report.\n\n```\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frs-station%2Frs-booster","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frs-station%2Frs-booster","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frs-station%2Frs-booster/lists"}