Xpert HighScore Plus-Rietveld Method tutorial 2018

The following methodology was used to identify and quantify three crystalline phases in the material using the PANalytical X'Pert HighScore

[@ehsankhan4115]

Guys, the software and database version (pdf4+) he is using is Licensed and Paid. The free version has pdf 2 database which does not have built-in atomic coordinates and structural data and also contains less patterns or JCPD cards. That's why the errors "no structural data" or "no valid atomic positions available" appears.

[@walacejr.6843]

Thank you for this explanation.

[@anurag5768]

Best answer till the date 😁thank you bhai. All clear.

[@amitmandal5042]

is there any link to download structural data for free?

[@umumuntuksemua9831]

ah finally someone explained it, thanks my guy. greetings from indonesia

[@kapillraj27]

Hi, please share the ICSD database 😊

[@emmakhan14]

Not able to find REITVELD REFINEMENT in analysis options 😢 anybody can help?

[@nilson5145]

when i'am going calculate the crystalline phase appears : novalid atoms position

[@raerden]

I have same problem

IT IS BECAUSE the selected chart (CIF) does not have the x, y, z coordinates of the atoms. you will have to write down the structural parameters of the chart and search it in a database. After finding the correct CIF, just import it to Xpert.

[@nilson5145]

can you tell me how could solve this problem with atomatic rietveld refinement "no valid atom positions available"?

[@minaaziziha6653]

You can change the mode to manual and it let's you change the lattice parameters.

[@julianaisabelbetancur5691]

@@minaaziziha6653 How can I change the mode?

[@biprojit2608]

Mozart gives goosebumps !!!!

[@hrishikeshdeodhar4698]

Theres apparently no rietveld refinement under analysis in one of the versions of xpert highscore pls help if anybody knows about this

[@willpm31]

I would like to know how you got ICSD database and then inserted in Highscore? Because i realized that on "Ref." tab is show ICSD!

[@engineeringsciences2740]

you can choose the database in the following link www.crystallography.net/archives/2014/PANalytical/ In the following link you can see how the database is loaded into the program: kzbin.info/www/bejne/aYLTe5mIm66AgdE

[@ranitram1728]

All belong to JCPDS card no.

[@kavitayadav8351]

Why , it's showing this, where is the problem ,sir plz suggest

[@خواطر-ص3ن]

hi how are you broo i have a problem i have a forma (.asc) file i want to convert to (.raw) format please can you help me with that to found the (Icalc [cts])

[@manwellakahoul6217]

my file can not open with X'Pert HighScore do you help me please

[@hayatisahin6365]

I cant open your video on the comment and I need to know that how can I get rietveld data.

[@vishnuganthimeri3125]

how to get the icsd databse ? can anyone help me please. thanks in advance

[@vishnuganthimeri3125]

sir, can you please provide me the link of new database ?

[@kavitayadav8351]

Hello sir,good evening Sir ,when I am doing the refinement it shows the not valid atom position

[@gauravgupta6097]

kzbin.info/www/bejne/r3i0dYt5jaqUp7s&ab_channel=JIAMDiffractionFacility

[@malex_xander]

Hard to know that your phases are these just with only 36 score fit in some cases .... Don’t you think ?

[@engineeringsciences2740]

They are not only 36 points, they are 36 peaks with greater intensity at different angles. The amount of total peaks is immense, hundreds of peaks at different angles that correctly fit to the database patterns.

[@vishnuganthimeri3125]

what is the difference between icsd and cod databases?

[@ajithkumarbs657]

Cod is open source database anyone can use it. But Icsd and icdd are paid ones.

[@Mariana-wy7rd]

when I'm going to calculate the crystalline phases in my program the message appears: no structural data for simulation / refiniment. Can you help me?

[@engineeringsciences2740]

It is possible that the problem is due to the fact that you have not configured the database in the Xpert HighScore Plus 3.0. In the following link you can see how the database is loaded into the program: kzbin.info/www/bejne/aYLTe5mIm66AgdE

[@Mariana-wy7rd]

@@engineeringsciences2740 I have downloaded the file that you indicated to me, but still it continues with the same message: no structural data for simularion / refinament. my material is a clay, so this is a ceramic material, could you help me?

[@engineeringsciences2740]

​@@Mariana-wy7rd It is strange that you can not refine the sample, if you have followed the steps of the tutorial. I suggest looking in the scientific literature, experimental XRD of similar samples to determine the possible phases present in the material. Remember that only you should know what elements are present in your sample. The message " no structural data for simulation/refiniment" appears when steps 4, 5 and 6 of the tutorial are not followed.

[@Mariana-wy7rd]

@@engineeringsciences2740 Could you give me your email so I can send you my sample so you can see where I'm going wrong? Could you give me your email so I can send you my sample so you can see where I'm going wrong? or even whatsapp I could send you photos of my review.

[@willpm31]

@@Mariana-wy7rd hey flavio... do you speak protuguese? I may help you on this problem!

[@moulichandumouli137]

sir can you pls share xpert high score software

[@mustaphamatrouf3579]

please could you share the Xpert high score software and database files, please ^^

[@OneNerdTube]

Did you got these ?

[@yunusovabrorbek5266]

How can i install

[@AsmaPormehr]

Please help me, what should be done to fix "No structural data for simulation/refinement"and "Negative intensities in scan data points" errors in Rietveld operation? Thanks in advance

[@ajithkumarbs657]

Check weather the .dat file is available for refinement. If it is unavailable or renamed it will shows no data for refinement. For negative intensities don't try to subtract background data from of your xrd pattern.

[@AsmaPormehr]

@@ajithkumarbs657 thank you. My problem was solved 😊🙏🌺

[@sehreishabrar492]

@@AsmaPormehr hi, how your problem was resolved,can you guide please?

[@AsmaPormehr]

@@sehreishabrar492 hi, You can do what Kumar said in previous comment, this way your problem will be solved, Of course, because my software was an old version, I had a problem later and had to choose another software to do Reitveld, I used the free full prof software to Reitveld refinement

[@xdxd525]

WHICH VERSION YOU ARE USING?

[@engineeringsciences2740]

X'Pert HighScore Plus 3.0

[@moustaphaelansary6013]

please you can give me database which you are used

[@engineeringsciences2740]

Of course, you can choose the database in the following link www.crystallography.net/archives/2014/PANalytical/

[@moustaphaelansary6013]

thanks bro

[@th.dej2753]

Thank you so much

[@vishnuganthimeri3125]

@@engineeringsciences2740 in this link which file we need to download can you please explain me about how to add database in xpert high score plus , thanks in advance.

[@alfaprochanel1719]

PLease, share your installer equipment and database. thanks

[@yunusovabrorbek5266]

I cant install data base

[@vv-ky4bi]

I couldnt able to see ur screen clearly...

[@gayathrimanju8564]

Pls give the type of input file

[@engineeringsciences2740]

The input file is the experimental file with extension .mdi or .raw

[@gayathrimanju8564]

@@engineeringsciences2740 i have only ascii file for my doped copper ferrite sample i dont have cif file can you give details

[@stefaniatrivinobolanos1782]

Really good. Thanks

[@TheVoiceOfShadows]

But errors are showing

[@engineeringsciences2740]

¿What errors are you referring to?

[@latif104]

brilliant

[@leilael-adel7345]

thank you so much

[@ibrahimnazemqader9153]

Bravo دەست خۆش

[@ranitram1728]

You should remove the background music and can tell the way u are doing! That would make more sense!!

[@yunusovabrorbek5266]

Who is know