Calculating ODF from incomplete XRD pole figure

[gyanaranjanmishra]

Hi All,

I have some XRD texture measurement data and wanted to plot ODFs.

While the code works fine for many other data sets, there is a specific case where an error occurs (see screenshot)

I have the dataset attached, and want to know if there is any error in it. Is there anyway I can avoid the error?

% crystal symmetry
CS = crystalSymmetry('m-3m', [2.86 2.86 2.86], 'mineral', 'Iron-alpha', 'color', [0.2 0.4 1]);

% specimen symmetry
SS = specimenSymmetry('orthorhombic');

% plotting convention
setMTEXpref('xAxisDirection','north');
setMTEXpref('zAxisDirection','outOfPlane');
setMTEXpref('EulerAngleConvention','Bunge');

%% Specify File Names

% path to files
pname = '-------------';

% which files to be imported
fname = {...
  [pname '5-300-1000-30_redo_211.txt'],...
  [pname '5-300-1000-30_redo_200.txt'],...
  [pname '5-300-1000-30_redo_110.txt'],...
  };

%% Specify Miller Indice

h = { ...
  Miller(2,1,1,CS),...
  Miller(2,0,0,CS),...
  Miller(1,1,0,CS),...
  };

%% Import the Data

% create a Pole Figure variable containing the data
pf = PoleFigure.load(fname,h,CS,SS,'interface','generic',...
  'ColumnNames', { 'Polar Angle' 'Azimuth Angle' 'Intensity'});


odf = calcODF(pf,'KERNEL','de la Vallee Poussin','RESOLUTION', 5*degree,'KERNELWIDTH',5*degree,'iter_max',13);
contourlist = [1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16];


figure;

plotSection(odf,'contour',...
        'LineWidth',1.5,...
        'phi2','SECTIONS',18,...
        'RESOLUTION', 5*degree,...
        'LevelListMode','manual',...
        'LevelList',contourlist);
colorbar;

5-300-1000-30_redo_110.txt
5-300-1000-30_redo_200.txt
5-300-1000-30_redo_211.txt

[ralfHielscher]

Hi gyanaranjanmishra,

you spotted an bug in MTEX. You can overcome the bug by including

pf.c = {1,1,1}

after importing the pole figure data. Two more remarks.

1. Your raw data look very bad. I wouldn't trust the reconstruction.
2. The syntax for calculating the ODF should be

odf = calcODF(pf,'resolution', 5*degree,'halfwidth',5*degree,'iter_max',13);

Ralf.

[gyanaranjanmishra]

Hi Prof. Ralf,

Thanks for responding. I tried the code changes you mentioned but still getting the same message. I am using Mtex 5.11.2, should I upgrade it?

Thanks
gyanaranjanmishra

[ralfHielscher]

I just checked it with MTEX 5.11.2. and it worked for me. For clarity you should do

pf = PoleFigure.load(fname,h,CS,SS,'interface','generic',...
  'ColumnNames', { 'Polar Angle' 'Azimuth Angle' 'Intensity'});
pf.c = {1,1,1};
odf = calcODF(pf,'resolution', 5*degree,'halfwidth',5*degree,'iter_max',13);

Ralf.

[gyanaranjanmishra]

It worked on the latest version of MTEX, I don't know why it didn't work on 5.11.2. Thank you for the code.

gyanaranjanmishra