Hi Mohammed,

you've put the finger on a weak point in reporting crystallographic statistics ;-). The use of Rmerge and Rsym differs wi(l)dely amongst crystallographers. In my opinion, Rsym should be reported for the single crystal internal symmetry R-factor between symmetry-equivalent reflections, whereas Rmerge should be used as the cross-data-set merging R-factor if several data sets are merged together. However, often, you will find Rmerge in place of Rsym in single-crystal statistics tables ...

Best regards,

Dirk.

Am 18.01.2008 um 16:02 schrieb Salameh, Mohd A., Ph.D.:

Hi everybody!

I will appreciate it if anybody can clarify to me the differences between Rmerge and Rsym. Many thanks, M

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Mohammed A. Salameh, Ph.D.

Mayo Clinic Cancer Center

Griffin Cancer Research Building

4500 San Pablo Road

Jacksonville, FL 32224

Tel:(904) 953-0046

Fax:(904) 953-0277

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Dirk Kostrewa
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