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1 | 1 | """ |
2 | | -GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants`` |
| 2 | +GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants`` |
3 | 3 | containing substances commonly used for powder calibrations for image data. |
4 | 4 |
|
5 | 5 | Each entry in ``ImageCalibrants`` consists of:: |
|
14 | 14 |
|
15 | 15 | 'LaB6 SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)), |
16 | 16 |
|
17 | | -For calibrants that are mixtures, the "Bravais num" and "(a,b,...)" values are repeated, as in this case:: |
| 17 | +For calibrants that are mixtures, the "Bravais num" and "(a,b,...)" values are repeated, as in this case:: |
18 | 18 |
|
19 | 19 | '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.)), |
20 | 20 |
|
21 | | -Note that Si has reflections (the 4th, 11th,...) that are not extinct by |
| 21 | +Note that Si has reflections (the 4th, 11th,...) that are not extinct by |
22 | 22 | symmetry but still have zero intensity. These are supplied in the final list:: |
23 | 23 |
|
24 | 24 | 'Si':([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)), |
25 | 25 |
|
26 | | -Note, the Bravais numbers are: |
| 26 | +Note, the Bravais numbers are: |
27 | 27 | * 0 F cubic |
28 | 28 | * 1 I cubic |
29 | 29 | * 2 P cubic |
|
41 | 41 |
|
42 | 42 | User-Defined Calibrants |
43 | 43 | ======================= |
44 | | -To expand this list with locally needed additions, do not modify this |
| 44 | +To expand this list with locally needed additions, do not modify this |
45 | 45 | ``ImageCalibrants.py`` file, |
46 | 46 | because you may lose these changes during a software update. Instead |
47 | 47 | duplicate the format of this file in a file named ``UserCalibrants.py`` |
|
63 | 63 | 'LaB6 SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)), |
64 | 64 | 'LaB6 SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)), |
65 | 65 | 'LaB6 SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)), |
| 66 | +'LaB6 SRM660c': ([2,],[''],[(4.156826,4.156826,4.156826,90,90,90),],0,(1.0,10,10.)), |
66 | 67 | '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)), |
| 68 | +'Si SRM640d':([0,],['F d 3 m'],[(5.43123,5.43123,5.43123,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)), |
| 69 | +'Si SRM640e':([0,],['F d 3 m'],[(5.431179,5.431179,5.431179,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)), |
| 70 | +'Si SRM640f':([0,],['F d 3 m'],[(5.431144,5.431144,5.431144,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)), |
67 | 71 | 'CeO2 SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)), |
68 | 72 | 'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)), |
69 | 73 | 'Ni @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10.)), |
|
76 | 80 | 'Pt @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1.)), |
77 | 81 | '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.)), |
78 | 82 | } |
79 | | - |
| 83 | + |
80 | 84 | # this should not be duplicated in the UserCalibrants.py file: |
81 | 85 | try: |
82 | 86 | import UserCalibrants as userFile |
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