source: trunk/ImageCalibrants.py @ 4089

Last change on this file since 4089 was 4089, checked in by vondreele, 2 years ago

implement an "absent" list for image calibrants - especially Silicon SRM640

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1"""
2*ImageCalibrants: Calibration Standards*
3----------------------------------------
4
5GSASII powder calibrants as a dictionary ``ImageCalibrants.Calibrants`` with substances
6commonly used for powder calibrations for image data.
7
8Each entry in ``ImageCalibrants`` consists of::
9
10  'key':([Bravais num,],[space group,],[(a,b,c,alpha,beta,gamma),],no. lines skipped,(dmin,pixLimit,cutOff),(absent list))
11  (The space group may be an empty string)
12  the absent list is optional; it gives indices of lines that have no intensity despite being allowed - see the Si example below;
13  counting begins at zero
14
15as an example::
16
17  'LaB6  SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
18
19or where "Bravais num" and "(a,b,...)" are repeated in the case of mixtures::
20
21  'LaB6 & CeO2':([2,0],['',''] [(4.1569,4.1569,4.1569,90,90,90),(5.4117,5.4117,5.4117,90,90,90)], 0, (1.0,2,1.)),
22
23To expand this list with locally needed additions, do not modify this file,
24because you may lose these changes during a software update. Instead
25duplicate the format of this file in a file named `UserCalibrants.py`
26and there define the material(s) you want::
27
28  Calibrants={
29    'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10),()),
30  }
31
32New key values will be added to the list of options.
33If a key is duplicated, the information in  `UserCalibrants.py` will
34override the information in this file.
35
36Note, the Bravais numbers are:
37            * 0 F cubic
38            * 1 I cubic
39            * 2 P cubic
40            * 3 R hexagonal (trigonal not rhombohedral)
41            * 4 P hexagonal
42            * 5 I tetragonal
43            * 6 P tetragonal
44            * 7 F orthorhombic
45            * 8 I orthorhombic
46            * 9 C orthorhombic
47            * 10 P orthorhombic
48            * 11 C monoclinic
49            * 12 P monoclinic
50            * 13 P triclinic
51"""
52Calibrants={
53'':([0,],['',],[(0,0,0,0,0,0),],0,(1.0,10,10.)),
54'LaB6  SRM660b':([2,],[''],[(4.15689,4.15689,4.15689,90,90,90),],0,(1.0,10,10.)),
55'LaB6  SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
56'LaB6  SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)),
57'LaB6  SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)),
58'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)),
59'CeO2  SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)),
60'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)),
61'Ni   @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10.)),
62'NaCl @ 298K':([0,],[''],[(5.6402,5.6402,5.6402,90,90,90),],0,(1.0,10,10.)),
63'NaCl even hkl only':([2,],[''],[(2.8201,2.8201,2.8201,90,90,90),],0,(1.0,10,10.)),
64'Ag behenate':([6,],[''],[(1.0,1.0,58.380,90,90,90),],0,(7.0,5,1.)),
65'Spun Si 3600 line/mm grating':([6,],[''],[(1.0,1.0,2777.78,90,90,90),],2,(200.,5,1.)),
66'Spun Si 7200 line/mm grating':([6,],[''],[(1.0,1.0,1388.89,90,90,90),],1,(200.,5,1.)),
67'Pt   @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1.)),
68'LaB6 & CeO2':([2,0],['','',],[(4.1569162,4.1569162,4.1569162,90,90,90),(5.411651,5.411651,5.411651,90,90,90)],0,(1.0,2,1.)),
69}
70   
71# this should not be duplicated in the UserCalibrants.py file:
72try:
73    import UserCalibrants as userFile
74    Calibrants.update(userFile.Calibrants)
75except:
76    pass
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