Ignore:
Timestamp:
Apr 22, 2021 7:11:38 PM (6 months ago)
Author:
toby
Message:

do not change image formatName

File:
1 edited

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  • trunk/ImageCalibrants.py

    r4089 r4889  
    33----------------------------------------
    44
    5 GSASII powder calibrants as a dictionary ``ImageCalibrants.Calibrants`` with substances
    6 commonly used for powder calibrations for image data.
     5GSASII powder calibrants in dictionary ``ImageCalibrants.Calibrants``
     6containing substances commonly used for powder calibrations for image data.
    77
    88Each entry in ``ImageCalibrants`` consists of::
    99
    1010  '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
    1411
    15 as an example::
     12 * See below for Bravais num assignments.
     13 * The space group may be an empty string.
     14 * The absent list is optional; it gives indices of lines that have no intensity despite being allowed - see the Si example below; counting begins at zero
     15
     16As an example::
    1617
    1718  'LaB6  SRM660a':([2,],['',][(4.1569162,4.1569162,4.1569162,90,90,90),],0,(1.0,10,10.)),
    1819
    19 or where "Bravais num" and "(a,b,...)" are repeated in the case of mixtures::
     20For calibrants that are mixtures, the "Bravais num" and "(a,b,...)" values are repeated, as in this case::
    2021
    2122  '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.)),
    2223
    23 To expand this list with locally needed additions, do not modify this file,
    24 because you may lose these changes during a software update. Instead
    25 duplicate the format of this file in a file named `UserCalibrants.py`
    26 and there define the material(s) you want::
     24Note that Si has reflections (the 4th, 11th,...) that are not extinct by
     25symmetry but still have zero intensity. These are supplied in the final list::
    2726
    28   Calibrants={
    29     'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10),()),
    30   }
    31 
    32 New key values will be added to the list of options.
    33 If a key is duplicated, the information in  `UserCalibrants.py` will
    34 override the information in this file.
     27  '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)),
    3528
    3629Note, the Bravais numbers are:
     
    4942            * 12 P monoclinic
    5043            * 13 P triclinic
     44
     45User-Defined Calibrants
     46=======================
     47To expand this list with locally needed additions, do not modify this
     48``ImageCalibrants.py`` file,
     49because you may lose these changes during a software update. Instead
     50duplicate the format of this file in a file named ``UserCalibrants.py``
     51and there define the material(s) you want::
     52
     53  Calibrants={
     54    'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10),()),
     55  }
     56
     57New key values will be added to the list of options.
     58If a key is duplicated, the information in  ``UserCalibrants.py`` will
     59override the entry in this (the ``ImageCalibrants.py`` file).
     60
    5161"""
     62
    5263Calibrants={
    5364'':([0,],['',],[(0,0,0,0,0,0),],0,(1.0,10,10.)),
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