Dear Ralf this 'reverse' convention is certainly what I remember from a few years ago. It confused me I have to say... all the best Martyn Martyn Symmons Cambridge UK --- On Wed, 8/12/10, Ralf W. Grosse-Kunstleve wrote:

From: Ralf W. Grosse-Kunstleve Subject: [phenixbb] anyone with a scalepack file with R3 or R32 using rhombohedral axes? To: [email protected] Date: Wednesday, 8 December, 2010, 5:40 I'm looking for a little help from the phenix user community. Does anyone have a scalepack output file with data in space group R3 or R32 using rhombohedral axes, i.e. unit cell parameters a=b=c, alpha=beta=gamma? What is the space group symbol in the file? I'm only interested to know this for files that are the direct output of scalepack.

I'd like to verify that this part of the scalepack documentation is actually true:

http://www.hkl-xray.com/hkl_web1/hkl/manual_online.pdf Page 139:

146 R3  R3 in hexagonal setting 446 H3 R3 in primitive setting 155 R32  R32 in hexagonal setting 455 H32 R32 in primitive setting

If this is actually true, it is the exact opposite of what's used by the PDB.

Thanks in advance for feedback.

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