I have X'pert highscore plus, It is very powerful tool for XRD analysis. What do you mean by "it does not work correctly"?. Let me know if you need assistance Sasan.

Regrds,

The extention must be .hsrdb and it is obtained when you converted your database. You can obtain a complete set of CIF files from the crystallographic open database. You can also check this vide to get some further instructions:

https://www.youtube.com/watch?v=3QpJfRfIMKo

or this one

https://www.youtube.com/watch?v=5j8cR_Ns0tQ

Cheers,

you can use Jade software for XRD analysis. it is very convenient and user friendly..

Regards,

Tariq

You may use JCPDS

Question was about database (JSPDS, of course), not about software.

1. Match! with PDF-4 (Phase Identification from Powder Diffraction ), this is German production very good.

2. + "Mincryst" database at Internet, this is Russian production very good.

What is a database? It is a collection of entries compiled from publications. The collectors are not responsible for the quality of data. They do not give any guarantee for the quality of the single entry. However, they spent time for collection and since many people look for such databases you can start a business from it. Competition force you to check these data...what is only possible if obvious discrepancies can be discovered. Also this process needs time and a lot of money. Since we all more or less believe, that faster, higher, deeper etc is bigger we also think that more is better. On the other hand, each scientist will com in contact with maximally a few hundreds of phases or minerals in his life. Why does he needs then several hundred thousands? Therefore, my recommendation: Use a database you created by yourself step by step. How probable it is that you will find a very rare phase? And how probable it will be that the phase you are missing is not yet implemented in a database? In other words, a big database suggests to be very beneficial but finally it is more like a racing car bought for the city. Not fast, often not really usable, maintenance very expensive and not trustworthy if you really need it. Free databases are less comfortable, but it force you to think and not only click on a phase, although the composition should tell you already how stupid a selection would be...despite the perfect match.

I forgot: COD is a free database which very likely contains all phases implemented in Mincryst. The manual inspection of phases also has a very nice side effect. You might have the impression you are wasting time but you will learn with each inspected phase about the benefits and "drawbacks" of crystallography. You are not that blind anymore for obvious errors in data base entries.

CCDC website is also beneficial

Doriana Vinci : But ICSD is commercial and as far as I know you need to buy a license every year? Isn''t it part of the PDF or still separate?

I see. I did not know whether they still have an own business or simply belong already to ICDD. I guess you still have an "old" computer :-) and you use a time mashine to visit it?

...and there you are running ICSD from 2013?

If you do use the X'pert's High score, you need COD file to match peak, otherwise, you can not use this precisely.

Best of Luck.

Majibul Babu : I am quite sure that X'pert's High score also works with ICSD and ICDD. COD EXCLUSIVE advantage is that it is free available. You cannot search in COD from X'perts High score (I guess). You need first to search for possible candidates in COD, export them and then use High score for a direct comparison. Isn't it?.

There is HighScore version of COD and HS uses search match methods on all imported databases in HS at the same time. COD for HS can be downloaded from here: http://www.crystallography.net/cod/archives/2016/PANalytical/

Gert Nolze I have used X'pert High Score with the helping of COD file, still now.

Grzegorz Cios : I am sorry. As I can see, COD obviously found out the binary encoding of the database format used in X'pert High Score. The same possibly works for Rigaku, but for all other refinement software it doesn't?

Highscore, Rigaku, Match, Qualx2, DIFFRAC.EVA work (as far as I know) with COD database but not all of these do the refinement.

I have used COD with Rigaku instrument at ISIS Oxford and Brucker at Open university. it worked well with both instrument.

Thanks to all for their valuable explanations.....

You can use "Mincryst" database on the Internet for phase analysis.

Dear all,

I red this post and I think you might help me. I would like to use XPert High Score Plus with COD database for phase identification. I red that Majibul Babu has done the same. However, I wonder whether a proper COD needs to be downloaded for a correct use with XPert High Score Plus. Majibul Babu could you please help with the web site for downloading!

Many thanks,

Azzurra.

Match! with database PDF-4. This is German production and it good prorgam for me.

Match! is a program for phase identification from X-ray powder diffraction data.

Thanks Ganbat Batdemberel for your answer. However, I have already buy the licence for XPert High Score Plus and I am going to use it for phase identification. I just need to know how is the correct way to use COD free database in such XPert. Do you have any clues?

Thanks again!

Azzurra.

I am sorry, I have no any description for this.

Dear A. Zucchini

Yeah, I can, help you , firmly tell you that Xpert's High score software and COD database is completely free. But it is painstaking or assiduous act. Surprisingly, I have these massive files which is not send dispatchly via gmail or others mail box system. However, you can contact to me: [email protected]

Dear Majibul Babu

Where I can get latest COD database?

http://www.crystallography.net/cod/archives/2016/PANalytical/

This link for 2016 database

Thank you

Dear Majibul Babu

When I tried to do rietveld refinement. It says that no structural (see attached image).

But after I changed to 2012 COD database. then I can do rietveld refinement.

Do you why? Seems that 2016 database has some error

Dear W. A. W. Razali

Why? I dont know.. I, however, have used this database which you mentioned. What is your materials? Could you tell me?

W. A. W. Razali first right click on both phases and select "convert pattern to phases" then go to "refinement control" you should see both phases with parameters to be refined.

It is everything fine with the database.

Grzegorz Cios I did "convert pattern to phases" then go to analysis > rietveld .. but still can't do rietveld refinement

Majibul Babu Corundum

W. A. W. Razali what do you see in refinement control?