paramagpy.fit.extract_ccr_data¶
- paramagpy.fit.extract_ccr_data(data, separateModels=True)[source]¶
Extract values required for CCR calculations
- Parameters
data (numpy.ndarray) – a numpy structured array containing atomic information and experimental data values This is returned from
paramagpy.protein.CustomStructure.parse()separateModels (bool, optional) – when True, separates data into separate lists by their model number. When False, returns only one list
- Returns
arr – this has fields specified by structdtype this array is core to all fitting algorithms
- Return type
numpy.ndarra