#!/usr/bin/env python # Read MTZ file and plot I/sigma as a function of 1/d^2. import sys from matplotlib import pyplot import gemmi for path in sys.argv[1:]: mtz = gemmi.read_mtz_file(path) intensity = mtz.column_with_label('I') sigma = mtz.column_with_label('SIGI') if intensity is None or sigma is None: sys.exit("Columns I and SIGI not in the file: " + path) x = mtz.make_1_d2_array() y = intensity.array / sigma.array pyplot.figure(figsize=(5,5)) pyplot.hexbin(x, y, gridsize=180, bins='log', cmap='gnuplot2') pyplot.show()