how can I match the XRD data of Polyaniline for getting structural information using Xpert Highscore ? While attempting for the same I am getting "no candidate found" as output.
Hello, Rahul Sharma
in order to match your sample to a known sample in HighScore, you will need a database set inside HighScore which contains the structure you want. Supposing you already set this, the most probable issue we face in HighScore is the peaks identification. When we select wrong peaks or miss some of the correct ones, the program may not identify the correct phase.
I think I can help you with this, feel free to reply.
Sincerely,
Ricardo Tadeu.
Rahul Sharma I understand you're facing challenges matching XRD data of polyaniline and obtaining structural information using Xpert HighScore. The "no candidate found" issue can be addressed through a systematic approach. Firstly, ensure you're using a database that includes polymer structures, as standard databases may lack polymer-specific information. Choose the exact form of polyaniline you're working with, such as emeraldine base or salt, and verify your reference data against accurate literature or polymer databases. Review XRD data collection for quality, input precise instrumental parameters, and experiment with refinement settings. Consider amorphous contributions, use known crystal structures if available, and consult literature.
Ricardo Tadeu Maia Thank you for replying. I would like to tell you that I have approximately 117844 patterns in the database that I have uploaded and has followed the tutorials given on the YouTube still not able to deal with this.
Alvena Shahid How can I confirm whether the database I am using includes Polymer structures or not. Also can you please tell how can I make the changes like considering amorphous contributions and choosing Emeraldine base or salt in the Xpert.
No I didn't attend that one...
But definitely u use to confirm database using polymer structures..
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