INNER CODE UNIT · Python

process_spectra_json_node

sirius-ms/sirius · affinity_selection_ms/src/main/resources/makeMirrorSpectrumPlot.py:12

def process_spectra_json_node(jsonRoot):
    spectra_node = jsonRoot['spectra']
    spectra_dict = {}

    for d in spectra_node:
        processed_dict = {'recall': d['recall'], 'weighted_recall': d['weighted_recall']}

        msrd_spectrum = {'annotated_matched': {'mz': [], 'intensity': [], 'atom_indices': []}, 'not_annotated_matched': {'mz': [], 'intensity': []}, 'annotated_not_matched': {'mz': [], 'intensity': [], 'atom_indices': []}, 'not_annotated_not_matched': {'mz': [], 'intensity': []}}
        for peak in d['msrd_spectrum']:
            if peak['isMatched']:
                if len(peak['atom_indices']) > 0:
                    msrd_spectrum['annotated_matched']['mz'].append(peak['mz'])
                    msrd_spectrum['annotated_matched']['intensity'].append(peak['intensity'])
                    msrd_spectrum['annotated_matched']['atom_indices'].append(tuple(peak['atom_indices']))
                else:
                    msrd_spectrum['not_annotated_matched']['mz'].append(peak['mz'])
                    msrd_spectrum['not_annotated_matched']['intensity'].append(peak['intensity'])
            else:

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