Through fitting of XRD patterns for identifications the exact peaks positions there any many peaks fitting functions predefined in origin lab library; hence I am wondering which is the best for XRD?
The best fitting programs are software packages which are specifically developed for XRD. Of course, you can use also other software like Origin or even Excel but after fitting a profile what you will do with this information? You should not forget the next step: the correlation with a phase, i.e. you still need all the crystallography, why a peak appears with this intensity at this position. Even more complex when you have many reflections which are all dependent from each other. In other words, this question is not very well thought. Use free software like Fullprof, MAUD etc. Even these programs offer several profile functions since they represent a mathematical ideal and never match physically perfect. However, they contain decades of experience for a question you asked in some seconds and shall be answered in some minutes. There are plenty of books and websites which can better explain why to use what (mainly from experience and not because we know why). Good luck...and don't even think about Origin. :-)
For fitting purpose you can use powder-X software.
However, if you need, you can download more software using below link:
http://www.ba.ic.cnr.it/softwareic/
In common case Voight or Pseudo-Voigt are most used peak shape functions for XRD patterns. But the best way is to use special XRD software
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