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FsigmaFbyabsLindex.json
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FsigmaFbyabsLindex.json
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{
"display_name": "FsigmaFbyabsLindex",
"metadata": {
"language": "python",
"description": "L-plot",
"tags": [
"python","FsigmaFbyabsLindex","iotbx","extra crystal symmetry"
],
"code": [
"import pandas as pd",
""""",
"Use pandas to read in a hkl file with whitespace separators into a dataframe.",
"Append to the dataframe a column with F/sigmaF values.",
"Append to the dataframe a column with the absolute value of the L indices.",
"Average F/sigmaF by absL index.",
"Write to absL and F/sigmaF to csv file.",
""""",
"mtzdata = pd.read_csv('1524start.hkl', names=['H','K','L','F','SIGF'], sep='\s+')",
"mtzdata['FovSigF'] = mtzdata.apply(lambda row: row['F'] / row['SIGF'], axis=1)",
"mtzdata['absL'] = mtzdata.apply(lambda row: abs(row['L']), axis=1)",
"FovSigFabsL = mtzdata.groupby([mtzdata.absL]).FovSigF.mean()",
"FovSigFabsL.to_csv('test2.csv')"
]
},
"schema_name": "code-snippet"
}