Skip to content

Commit c63c871

Browse files
Add newer NIST SRMs as detector image calibrants (#261)
* Add NIST SRM 640d, 640e, 640f, and 660c * Update SRM660c & SRM640 values Added all decimal places in certificates, though probably the extra precision is meaningless --------- Co-authored-by: Brian Toby <[email protected]>
1 parent 9b9a533 commit c63c871

File tree

1 file changed

+10
-6
lines changed

1 file changed

+10
-6
lines changed

GSASII/ImageCalibrants.py

Lines changed: 10 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
"""
2-
GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants``
2+
GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants``
33
containing substances commonly used for powder calibrations for image data.
44
55
Each entry in ``ImageCalibrants`` consists of::
@@ -14,16 +14,16 @@
1414
1515
'LaB6 SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
1616
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::
1818
1919
'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.)),
2020
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
2222
symmetry but still have zero intensity. These are supplied in the final list::
2323
2424
'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)),
2525
26-
Note, the Bravais numbers are:
26+
Note, the Bravais numbers are:
2727
* 0 F cubic
2828
* 1 I cubic
2929
* 2 P cubic
@@ -41,7 +41,7 @@
4141
4242
User-Defined Calibrants
4343
=======================
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
4545
``ImageCalibrants.py`` file,
4646
because you may lose these changes during a software update. Instead
4747
duplicate the format of this file in a file named ``UserCalibrants.py``
@@ -63,7 +63,11 @@
6363
'LaB6 SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
6464
'LaB6 SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)),
6565
'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.)),
6667
'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)),
6771
'CeO2 SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)),
6872
'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)),
6973
'Ni @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10.)),
@@ -76,7 +80,7 @@
7680
'Pt @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1.)),
7781
'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.)),
7882
}
79-
83+
8084
# this should not be duplicated in the UserCalibrants.py file:
8185
try:
8286
import UserCalibrants as userFile

0 commit comments

Comments
 (0)