When I am trying to solve my crystal structure I am facing many A alerts and other alerts. The alerts it is showing are easily removable but I am unable to do that. Is there any .pdf file or anybody who can help me to come out this situation?
It depends to the type of alert and also quality of data collection. Some of A type alerts are routine which you can remove them by adding some simple information like space group, cycle of refinement, molecular formula, etc. Anyway some of A type alerts are very difficult and are related to data collection or quality of crystal. In this case maybe you can not remove them (in this case you should write an answer and explain it).
Try typing the alerts here, I am sure you will get some good help. Moreover, when inspecting the .cif via checkcif, every alert has a description which can help you diagnose the problem.
You can easily build your own structure and export a CIF file with Crystal Maker.
http://www.crystalmaker.com/
Mr. Khandavilli,
As you are already informed from the other participants in the discussion depending of the alerts tipes, have variety of approaches for correct presentation of the crystallographic data. Some of the alerts however need resolving of your structure.
So, that you could not operate with your cif-file.
It would be better to contact the persons, which are provided your cif to help you with the solving of the correct structure eventually, if the essence of teh A-alerts required resolving.
If you cif is obtained utilizing instrument with 'automatic solving software' options, than you should repeat the measurements with crystal object with high quality. Nevertheless, that you would processed alone with your collected data even obtained by this approach, if you cannot obtain suitable as quality and dimensions single crystal. In this respect, however, you need a separate software.
'SHELX' is highly recommendable one. It is free of charge for academics. The software itself and its manual are available on the following web-page:
SHELX software: http://shelx.uni-ac.gwdg.de/SHELX/
Furthermore it is updating regularly by the author on the same web-address.
Therefore each new version would be downloaded from the same web-address.
Dear Mr. kandavilli.
everything was said here. But I want to encourage you to look for advice from a experienced crystallographer in your department. This person should be able to find out what exactly are the main problems.
Best regards
Guido J. Reiss
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