Convert RXS to CIF

Understanding the rxs and cif file formats

RXS files are typically associated with crystallographic data, often generated by Rigaku's diffractometer software. These files contain raw or processed diffraction data, including information about the crystal structure, unit cell parameters, and intensity measurements.

CIF (Crystallographic Information File) is a standardized text-based format widely used in the field of crystallography. It stores detailed information about crystal structures, atomic coordinates, symmetry, and experimental conditions, making it ideal for data sharing and publication.

Why convert rxs to cif?

Converting RXS files to CIF format is essential for researchers who need to analyze, share, or publish crystallographic data. The CIF format is accepted by most crystallographic databases and journals, ensuring compatibility and ease of data exchange.

How to convert rxs to cif

There is no direct, universal converter for RXS to CIF due to the proprietary nature of RXS files. However, the most reliable method involves using crystallography software that supports Rigaku data formats and can export to CIF.

Recommended software: CrysAlisPro

CrysAlisPro by Rigaku Oxford Diffraction is the best software for this conversion. It natively reads RXS files and can export data as CIF files.

• Open your RXS file in CrysAlisPro.
• Process your data as needed (integration, scaling, structure solution).
• Go to File → Export → CIF to save your structure in CIF format.

Alternative: Olex2

Olex2 is a free and powerful crystallography suite that can import processed data from Rigaku instruments. If you have already processed your RXS data into a compatible format (such as HKL or INS), you can use Olex2 to generate a CIF file:

• Import your processed data into Olex2.
• Refine your structure as needed.
• Use File → Export → CIF to create the CIF file.

Summary

To convert RXS files to CIF, use CrysAlisPro for direct export or Olex2 if you have processed data. This ensures your crystallographic data is ready for analysis, sharing, and publication.