diff --git a/GSASII/ImageCalibrants.py b/GSASII/ImageCalibrants.py index 351ffaf4..cab4923f 100644 --- a/GSASII/ImageCalibrants.py +++ b/GSASII/ImageCalibrants.py @@ -1,5 +1,5 @@ """ -GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants`` +GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants`` containing substances commonly used for powder calibrations for image data. Each entry in ``ImageCalibrants`` consists of:: @@ -14,16 +14,16 @@ 'LaB6 SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)), -For calibrants that are mixtures, the "Bravais num" and "(a,b,...)" values are repeated, as in this case:: +For calibrants that are mixtures, the "Bravais num" and "(a,b,...)" values are repeated, as in this case:: '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.)), -Note that Si has reflections (the 4th, 11th,...) that are not extinct by +Note that Si has reflections (the 4th, 11th,...) that are not extinct by symmetry but still have zero intensity. These are supplied in the final list:: '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)), -Note, the Bravais numbers are: +Note, the Bravais numbers are: * 0 F cubic * 1 I cubic * 2 P cubic @@ -41,7 +41,7 @@ User-Defined Calibrants ======================= -To expand this list with locally needed additions, do not modify this +To expand this list with locally needed additions, do not modify this ``ImageCalibrants.py`` file, because you may lose these changes during a software update. Instead duplicate the format of this file in a file named ``UserCalibrants.py`` @@ -63,7 +63,11 @@ 'LaB6 SRM660a':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)), 'LaB6 SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)), 'LaB6 SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)), +'LaB6 SRM660c': ([2,],[''],[(4.156826,4.156826,4.156826,90,90,90),],0,(1.0,10,10.)), '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)), +'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)), +'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)), +'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)), 'CeO2 SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)), 'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)), 'Ni @ 298K':([0,],[''],[(3.52475,3.52475,3.52475,90,90,90),],0,(1.0,10,10.)), @@ -76,7 +80,7 @@ 'Pt @ 298K':([0,],[''],[(3.9231,3.9231,3.9231,90,90,90),],0,(1.0,5,1.)), '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.)), } - + # this should not be duplicated in the UserCalibrants.py file: try: import UserCalibrants as userFile