Add scripts/ave-resolution

1 files changed, 35 insertions, 0 deletions

diff --git a/scripts/ave-resolution b/scripts/ave-resolution
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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
+
+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))