source: trunk/defaultIparms.py

Last change on this file was 4578, checked in by toby, 12 months ago

docs for freezing parameters started + docs cleanup; start scriptable for freezing params; record initial chi2; Show more post refinement info; noted but unfixed bkg GUI bug

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1#!/usr/bin/env python
2# -*- coding: utf-8 -*-
3#defaultIparms
4########### SVN repository information ###################
5# $Date: 2020-09-28 18:23:10 +0000 (Mon, 28 Sep 2020) $
6# $Author: vondreele $
7# $Revision: 4578 $
8# $URL: trunk/defaultIparms.py $
9# $Id: defaultIparms.py 4578 2020-09-28 18:23:10Z vondreele $
10########### SVN repository information ###################
11'''
12*defaultIparms: Table of instrument parameters*
13-----------------------------------------------
14
15Defines some default instrument parameters.
16Format for each is a list of strings finished with a '\n'.
17Begin with '#GSAS-II...' as the reader routine checks this.
18Each line can be comprised of a block of ';' delimited name:value pairs.
19All instrument parameters must be included; even those = 0.
20Use a GSAS-II instprm file as a source for the entries.
21
22For a new entry:
23
24    Append a useful name to defaultIparms_lbl.
25   
26    Append the list of lines to defaultIparms.
27
28defaultIparm_lbl: defines a list of labels.
29
30defaultIparms: defines a list of multiple strings with values for each set of defaults.
31'''
32#See examples below.
33
34defaultIparm_lbl = []
35defaultIparms = []
36
37pass # placed here so that the following is not processed by Sphinx as a doc string
38''' the phrase 'lab data' in the following makes the default goniometer type='Bragg-Brentano'
39    otherwise it is set to 'Debye-Scherrer'
40'''
41defaultIparm_lbl.append('CuKa lab data')
42defaultIparms.append([
43    '#GSAS-II instrument parameter file for lab CuKa data\n',
44    'Type:PXC;Bank:1\n',
45    'Lam1:1.5405;Lam2:1.5443;Zero:0.0;Polariz.:0.7;Azimuth:0.0;I(L2)/I(L1):0.5\n',
46    'U:2.0;V:-2.0;W:5.0;X:0.0;Y:0.0;Z:0.0;SH/L:0.002\n',
47])
48
49defaultIparm_lbl.append('APS 30keV 11BM')
50defaultIparms.append([
51    '#GSAS-II instrument parameter file APS 11BM @ 30keV\n', 
52    'Type:PXC;Bank:1\n',
53    'Lam:0.413263;Polariz.:0.99;Azimuth:0.0;Zero:0.0\n',
54    'U:1.163;V:-0.126;W:0.063;X:0.0;Y:0.0;Z:0.0;SH/L:0.002\n',
55])
56
57defaultIparm_lbl.append('0.7A synchrotron data')
58defaultIparms.append([
59    '#GSAS-II instrument parameter file 0.7A synchrotron data\n',
60    'Type:PXC;Bank:1\n',
61    'Lam:0.69968;Zero:0.0;Polariz.:0.99;Azimuth:0.0\n',
62    'U:5.9840407759;V:-1.28771353531;W:0.118521878603\n',
63    'X:-0.0977791308891;Y:4.40147397286;Z:0.0;SH/L:0.0264356231583\n',
64])
65
66defaultIparm_lbl.append('1.9A ILL D1A CW data')
67defaultIparms.append([
68    '#GSAS-II instrument parameter file\n',
69    'Type:PNC;Bank:1\n',
70    'Lam:1.909;Zero:0.0;Polariz.:0.0;Azimuth:0.0\n',
71    'U:257.182710995;V:-640.525145369;W:569.378664828\n',
72    'X:0.0;Y:0.0;Z:0.0;SH/L:0.002\n',
73])
74
75defaultIparm_lbl.append('9m HIPD 151deg bank TOF data')
76defaultIparms.append([
77    '#GSAS-II instrument parameter file for 9m HIPD back scattering bank\n',
78    'Type:PNT;Bank:1\n',
79    'fltPath:10.32567;2-theta:151.0;Azimuth:0.0\n',
80    'Zero:-0.773346536757;difC:5084.82763065;difA:-2.6304177486;difB:0.0\n',
81    'alpha:5.0\n',
82    'beta-0:0.0332763989665;beta-1:0.000964057827372;beta-q:0.0\n',
83    'sig-0:0.0;sig-1:15.1402867268;sig-2:0.0;sig-q:0.0\n',
84    'X:0.0;Y:0.0;Z:0.0\n',
85])
86
87defaultIparm_lbl.append('10m TOF 90deg bank')
88defaultIparms.append([
89    '#GSAS-II instrument parameter file for 10m TOF 90deg bank\n',
90    'Type:PNT;Bank:1\n',
91    'fltPath:10;2-theta:90.0;Azimuth:0.0\n',
92    'Zero:0.0;difC:3500.;difA:0.0;difB:0.0\n',
93    'alpha:5.0\n',
94    'beta-0:0.03;beta-1:0.004;beta-q:0.0\n',
95    'sig-0:0.0;sig-1:80.0;sig-2:0.0;sig-q:0.0\n',
96    'X:0.0;Y:0.0;Z:0.0\n',
97])
98
99defaultIparm_lbl.append('63m POWGEN 90deg bank')
100defaultIparms.append([
101    '#GSAS-II instrument parameter file for POWGEN\n',
102    'Type:PNT;Bank:1;fltPath:63.169;2-theta:90.0;Azimuth:0.0\n',
103    'Zero:-4.96558487231;difC:22594.7440533;difA:-0.927945556608;difB:1.42511277627\n',
104    'alpha:1.0\n',
105    'beta-0:0.138077840635;beta-1:0.0029606795286;beta-q:0.0\n',
106    'sig-0:24.8202075678;sig-1:-82.07196132;sig-2:269.925504862;sig-q:0.0\n',
107    'X:-1.80259010604;Y:4.47209435997;Z:0.0\n',
108])
109
110defaultIparm_lbl.append('Generic TOF')
111defaultIparms.append([
112    '#GSAS-II instrument parameter file for Generic TOF\n',
113    'Type:PNT;Bank:1;fltPath:25.0;2-theta:150.;Azimuth:0.0\n',
114    'Zero:0.;difC:9000.;difA:0.;difB:0.\n',
115    'alpha:1.0\n',
116    'beta-0:0.;beta-1:0.005;beta-q:0.0\n',
117    'sig-0:0.;sig-1:-50.;sig-2:0.;sig-q:0.0\n',
118    'X:0.;Y:0.;Z:0.\n',
119])
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