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#!/usr/bin/env python
# -*- coding: utf-8 -*-
#
# Find mean diffracting resolution
#
# Copyright © 2014-2015 Deutsches Elektronen-Synchrotron DESY,
# a research centre of the Helmholtz Association.
#
# Author:
# 2014-2015 Thomas White <taw@physics.org>
#
import sys
import numpy
import matplotlib.pyplot as plt
f = open(sys.argv[1])
a = []
while True:
fline = f.readline()
if not fline:
break
if fline.find("diffraction_resolution_limit") != -1:
res = float(fline.split('= ')[1].split(' ')[0].rstrip("\r\n"))
a.append(res)
continue
f.close()
b = numpy.array(a)
print " Mean: %.2f nm^-1 = %.2f A" % (numpy.mean(b),10.0/numpy.mean(b))
print " Best: %.2f nm^-1 = %.2f A" % (numpy.max(b),10.0/numpy.max(b))
print "Worst: %.2f nm^-1 = %.2f A" % (numpy.min(b),10.0/numpy.min(b))
print "Std deviation: %.2f nm^-1" % (numpy.std(b))
plt.hist(a,bins=30)
plt.title('Resolution based on indexing results')
plt.xlabel('Resolution / nm^-1')
plt.ylabel('Frequency')
plt.grid(True)
plt.show()
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