XRD Analysis Free software
As researchers think for benefit of the society, they have developed several XRD analysis software and even made them available for free. As they are not software developers, most of the free XRD software has steep learning curve, thus not suitable for beginners. Several instrument makers have their own software, but only work on their own dataset, thus not accessible to all researchers. Even though there are few third party paid software, they are generally costly and most of the researchers can’t afford it as they are already underfunded.
The curated List of Free XRD Software for Analysis.
-
Plotting and Fitting
-
Origin for students
Advantage : easy to learn,
Disadvantage : limited capability for students
Download : https://www.originlab.com/index.aspx?go=Products/OriginStudentVersion
-
LabPlot
Advantage : easy to learn,
Disadvantage : Limited Penetration in Academic Setting
Download : https://labplot.org/download/
2. Lattice parameter Determination
-
CellRef
Advantage : Flexibility on initial parameters
Disadvantage : Difficult to learn, Hard to Work With
Download : http://ccp14.cryst.bbk.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
-
Powderx
Advantage : easy to learn,
Disadvantage : limited capability for students
Download
3. Crystallite size Determination
-
Origin for students
Advantage : easy to learn,
Disadvantage : limited capability for students, Difficult to Deconvolute Peaks
Download : https://www.originlab.com/index.aspx?go=Products/OriginStudentVersion
-
Fityk
Advantage : Versatile to work with any spectrum, easy to control
Disadvantage : Difficult to learn, capability for students
Download : https://fityk.nieto.pl/
4. Rietveld Refinement
( Lattice Parameter, Atomic position, Bond length and bond Angle )
-
GSAS
Advantage : Versatile to work with any spectrum, easy to control
Disadvantage : Difficult to learn, capability for students
Download : https://fityk.nieto.pl/
-
Fullproof
Advantage : Versatile to work with XRD and Neutron spectrum
Disadvantage : Difficult to learn, Hard to interpret, frequent local minima
Download : https://www.ill.eu/sites/fullprof/php/downloads.html
5. File Format conversion
-
Powdll
Advantage : Versatile to work with any files, easy to control
Disadvantage : Need to know various formats and makers
-
Powderx
Advantage : Versatile to work with any spectrum, easy to control
Disadvantage : Difficult to learn, capability for students
Download : https://fityk.nieto.pl/
6. Structural Visualization
-
Diamond (Demo)
Advantage : easy to learn,
Disadvantage : limited capability for demo version
Download : https://www.crystalimpact.com/diamond/download.htm
-
Mercury
Advantage : easy to learn,
Disadvantage : limited capability for students
Download : https://www.ccdc.cam.ac.uk/support-and-resources/Downloads/
7. XRD reference database
-
Crystallographic Open Database (COD )
Advantage : Humongous, covers wide variety of materials
Disadvantage : Difficulty in integrating with other Phase matching software
Download :
-
COD
Advantage : easy to learn,
Disadvantage : limited capability for students
Download :


