CAD (in ccp4) should be right program. You input an mtz file and write-out any column you choose into the output.
Best,
Kianoush
--- On Thu, 8/7/08, David Waterman <[log in to unmask]> wrote:
From: David Waterman <[log in to unmask]>
Subject: [ccp4bb] make I+ and I- columns in mtz
To: [log in to unmask]
Date: Thursday, August 7, 2008, 9:22 AMHi all,
I have an MTZ file with I, SIGI in which Friedel pairs are on separate lines, i.e.
LIST OF REFLECTIONS
===================
-6 -6 -6 24173.00 898.47
6 6 6 23523.00 872.92
-7 -5 -5 60313.00 1232.77
7 5 5 58022.00 1288.21
All I want to do is make an MTZ file with columns H, K, L, I(+), SIGI(+), I(-) and SIGI(-) without doing anything else to the data. Should be easy, but I can't find the right tool to do it!
Cheers
David