paramagpy.fit.ensemble_average¶
- paramagpy.fit.ensemble_average(dataArray)[source]¶
Calculate the ensemble average for the calculated values in the column ‘cal’ of the argument <dataArray> over models of the PDB file. Ensemble averaging behaviour is determined by the column ‘idx’ of the input array.
- Parameters
dataArray (numpy array) – the input array for ensemble averaging
- Returns
data – a smaller dataArray with ensemble averaged values
- Return type
numpy array