Not sure what you are asking for. The PDF4 is a licensed database from the International Center for Diffraction Data (www.icdd.com) and PANalytical's XRD analysis software is called HighScore.

Confirming that the PDF4 database can only be provided by the International Centre for Diffraction Data or by an agent. The National Institute of Technology Naipur would have to hold the license on behalf of its users. The ICDD may grant a 50% discount to recipients of ICDD grants under its Grant-in-Aid program - see http://www.icdd.com/index.php/grant-in-aid/

O.K

Brian O’Connor is absolutely right!

The best solution is probably to use PDF2 if the funding is not available to purchase the PDF4 from ICDD. PDF2 can be used for phase identification by using the PANalytical High Score Plus software (https://en.freedownloadmanager.org/Windows-PC/PANalytical-X-Pert-HighScore-Plus.html)

Husin Sitepu neither PDF2 nor PANalytical HighScore Plus are free. PDF2 is licensed from the ICDD (see Brian O'Connor comment above) and HSP from PANalytical. The weblink you provided no longer has a download link, which is good as it was effectively software piracy.

Edward Andrew Payzant is absolutely right.

At our X-Ray Lab, we purchased 5 years PDF4 license from ICDD for 2-PC computer, whereas PANalytical High Score Plus come with our PANalytical XRD both with Copper and Cobalt X-Ray tubes.

For the additional PC computers station, we installed both PANalytical High Score Plus software along with PDF2. That is what I exactly meant at my previous message.

In my view freely available software is the greatest drawback ono the sustainability of research across the GLOBE in general & INDIA in particular.

If research is done independently by student only with the guidance of supervisors then the quality of research will go up for good publications.

So no freely available software is or sustainability. the backbone for good quality research f

Mohammed Mustafa Abedlhafd neither PDF2 nor PANalytical HighScore Plus are free. PDF2 is licensed from the ICDD (see Brian O'Connor comment above) and HSP from PANalytical. The Iranian weblink you provided is distributing pirated software and this should be avoided.

We must be aware that using pirated software and data (eg PDF day bases) is breaching and international law on intellectual property protection. I submit that the link to the Iranian website should be removed by Research Gate

Dear all, I have a problem in defining the amount of each crystalline phase in a Nano crystalline composite containing metal oxides such as TiO2. For the reference sample, in Retvield refinement is it possible to use High-Quality products of Merck company which are not prepared in the same situation as my powder was? Would any differences in crystallite size or particles make any uncertainty in the results?

Dear Shima Kashani ,

You can use commercial LaB6 powder (you can buy it from any vendor selling chemicals near your home). You can use 20%wt of LaB6 powder that can be mixed with your prepared product as internal standard. You have to use step scan mode with slow scan speed (at least 1 second/step) to get a high quality XRD pattern. Then, you need a good software to do Rietveld refinement, such as X'pert highscore plus, Topas..etc or free open software like Fullprof. You have to use the correct CIF files that correspond to LaB6, TiO2, ...etc.. You can find the CIF of any element or compound using the following free websites.

http://www.crystallography.net/cod/

https://materialsproject.org/

http://rruff.geo.arizona.edu/AMS/amcsd.php

Another important source for high quality and reliable CIF files is the ICSD, but it's commercial.

Dear, Mohammed M. Obeid

Thanks for your informative answer, but my powder is a nano composite by itself. As it is prepared by sol- gel method, its composition is not controllable during the synthesis. Even though its chemical composition is known , the amount of each crystalline phase is not exactly known. In this way, we have used E’xpert software to do retvield refinement. But with out a reference sample. Because it is not possible for us to prepare a composite which its composition is exactly known.

Shima Kashani ,

How many phases are there in your XRD pattern? Are these phases well identified? Are your samples in powder form? So, if you can well identify these phases in your XRD pattern, it is easy to do Rietveld refinement to get the "relative phase fraction" without using internal standard, like LaB6. If you want to get the absolute phase fraction, you have to use 20% wt of very crystalline materials, like LaB6 of Si powder as internal standard. The latter method allows you to estimate the amorphous content. Since you use X'pert highscore plus, you can find more helpful instructions in the manual, go to >>help>> show help>>>search "type" practical.

Mohammed M. Obeid ,

We have 5 phases which are mixed and our sample is in a powder form. Some of peaks in X-Ray diffraction pattern are moved a little bit because of doping phenomena which arbitrary happens. As our sintering temperature is above 1000C we guess that no amorphous phase exists in this sample.

thanks@Husin