XRDMLread - Matlab function for reading X'Pert XRDML files

XRDMLread Bugs and Modifications

Version 1.3.4 - 2017 Mar 18, XRDMLread.m - current versions

• Adding Chi axis. For compatibility with older standard, Psi axis is kept and by default is returned what is used in the diffractometer (file). An option ‘XRDMLread:renameChi2Psi’ that must be requested explicitely
  xd = XRDMLread('XRDMeasurement-1.6.xrdml','XRDMLread:renameChi2Psi'),
  
  will convert Chi to Psi in all parts of the loaded structure (including fields and axes names and labels).

Version *.*.* - 2016 Mar 4, XMLTree-2.0 - upstream update

• Please with Matlab2015b and higher update to XMLTree-2.0!

Version 1.3.3b - 2013 Nov 11, PearsonVIIAsym.m, pseudoVoigtAsym.m - add-ons (documentation) update

• A documentation bug corrected (in definition of the PearsonVIIAsym function). Some references added.

Version 1.3.3a - 2013 Nov 6, linfit.m - add-on update

• An (error calculation) inconsistency in the add-on routine linfit was corrected. Error estimates of linear fit parameters were calculated incorrectly if no data-error values were supplied.

Version 1.3.3 - 2013 Jan 30, XRDMLread_1p3p3.m, XMLTree2Doc.m

• A bug (XRDMLread line.203) in reading “Texture pole figure” data corrected.
• A feature for extracting selected scans from a “repeated scan measurement” implemented. It can be useful e.g. for high-temperature in-situ data measured as repeated scans. If you realize that not all scans in a single file are identical, you may want to treat them separately rather than averaging all of them. By supplying an optional argument ‘repeatedScan:getSingleScans’ the following command will extract the 3rd scan from such data.
  xd = XRDMLread('repeated-in-situ-250degC.xrdml','repeatedScan:getSingleScans',3),
  
  In addition, note some optional fields in the returned Matlab structure (e.g. ‘scanStartTime’). They may be helpful if e.g. the measurement time stamp is required.
• An additional extension similar to the above one. Imagine data are measured simultaneously with two detectors. The detectors have different resolution (measurement step) or range (of interest). In such a measurement two scans are created with different range or number of data points. The scans can be stored in the XRDML format as two separate scans within one measurement. The original X'Pert software can correctly display them. With an optional argument ‘XRDMLread:getSingleScan’ such scans can be exported also into Matlab.
  xd = XRDMLread('strange-two-detector-scan.xrdml','XRDMLread:getSingleScan',1),
  
  Note a difference with the ‘repeatedScan:getSingleScans’ option. The scan need not to be of “repeated scan” type and the returned Matlab structure contain no auxiliary fields.
• (XRDMLwrite) Correction of a bug in an XRDMLwrite core utility — XMLTree2Doc. In the first version HTML-like comments were not converted from the XMLTree object into the Matlab DOM structure, which caused problems with preserving comments in the exported XML-files. With the current version(1.1) it should be possible to load a commented XML-file into XMLTree structure, modify the content with the XMLTree tools, convert the structure into DOM and save into a well formatted XML preserving the HTML-comments. Maybe some trailing spaces will disappear (Matlab feature).

Version 1.3.2 - 2012 Dec 8, XRDMLread transitional — release not available, XMLTree2Doc_1p0.m

• Saving data in the XRDML format with Matlab and XMLTree was discussed. See XRDMLwrite section.

Version 1.3.1 - 2011 Feb 2, XRDMLread_1p3p1.m

• XRDMLread could not read some data containing one and only incomplete scan. Such scans can be produced e.g. when a diffractometer operator aborts the measurement or an unexpected event occurs. The incomplete scan should be loaded properly now. The scan is considered by the XRDMLread as it was completed. This means that the scan is not saved in the XRDMLread structure as an incomplete measurement, but treated as a finished one. A warning is thrown. The warning can be switched off by typing
  s = warning ('off' , 'XRDMLread:incompleteScan');

Version 1.3 - 2010 Nov 22, XRDMLread_1p3.m

• Some Octave compatibility issues resolved. See XMLTree toolbox with Octave.
• Simplified BSD license included. Terms and conditions of use are more clear now.
• Multiple reloading of the XML data can be omitted now. If an XMLTree Object containing XRDML data is already available, it can be directly supplied as an argument to the XRDMLread function.
• Message-IDs added to errors and warnings calls.
• Little code cleanup.

Version 1.2 - 2007 Jan 31, XRDMLread_1p2.m

• Repeated scan supported. Final data are an average from all completed scans. The time field stores a total time per data point.
• Unconditional requirements of some additional axes (Phi, ...) supressed. The older versions were tested only with data from the MRD system with an Eulerian cradle. Diffraction data from systems (MPD, Alpha1) with no addtional axes should be supported now.

Version 1.1 - 2005 Jul 10, XRDMLread_1p1.m

• Two additional optional data fields added. The mask width: maskWidth and the divergence slit height: slitHeight.
• The hkl output structure field is now only optional. Use isfield(d,'hkl') to verify that the reflection hkl indexes were read.
• It was decided to ignore measurement comments entries in the path /xrdMeasurements/xrdMeasurement/scan. Only comment entries stored in the /xrdMeasurements/comment are now included. In addition, Matlab strvcat is now used to concatenate multiple line comments.
  See also STRVCAT, CELLSTR, CHAR, DEBLANK.

Version 1.0 - 2005 Apr 25, XRDMLread_1p0.m

• An error occurring while reading Q scans removed.
• An error occurring while reading multiple line comments disposed.
• Matlab 7 compatibility issues resolved.