#!/usr/bin/env python # -*- coding: utf-8 -*- # # Quantify peak intensities # # Copyright © 2015-2020 Deutsches Elektronen-Synchrotron DESY, # a research centre of the Helmholtz Association. # # Author: # 2015-2017 Thomas White # import sys import os import re f = open(sys.argv[1], 'r') prog1 = re.compile("^\s*[\d\-\.]+\s+[\d\-\.]+\s+[\d\-\.]+\s+([\d\-\.]+)\s+.+$") n_peaks = 0 n_patt = 0 total_intens = 0.0 while True: fline = f.readline() if not fline: break if fline == '----- Begin chunk -----\n': n_patt += 1 match = prog1.match(fline) if match: intens = float(match.group(1)) total_intens += intens n_peaks += 1 f.close() print('{} patterns, %i peaks'.format(n_patt,n_peaks)) print('Mean {:.2f} peaks per pattern'.format(n_peaks/float(n_patt))) print('Mean {:.2f} ADU per peak'.format(total_intens/float(n_peaks))) print('Mean {:.2f} ADU total per pattern'.format(total_intens/n_patt))