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Subject:

Re: --auto column labels

From:

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Reply-To:

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Date:

Thu, 24 May 2012 08:47:18 +0000

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Hi Tim,

A good answer, but I thought FWT = F * FOM? So this would not include the FOM's for the reflections? If I have this wrong that would be great.

Thanks,

Graeme

-----Original Message-----
From: Tim Gruene [mailto:[log in to unmask]] 
Sent: 24 May 2012 09:46
To: Winter, Graeme (DLSLtd,RAL,DIA)
Cc: [log in to unmask]
Subject: Re: --auto column labels

-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

Hi Graeme,
why don't you name the column types FWT and PHWT as you convert the phs-file to mtz?

You can also read in the phs-file directly given a cell, although I am not aware of an automated way.

Cheers,
Tim

On 05/24/12 10:27, [log in to unmask] wrote:
> Hi Folks,
> 
> I would like to load a phased mtz file from shelxe / convert2mtz 
> automatically in coot:
> 
> (from mtzdmp)
> 
> * Column Labels :
> 
> H K L F FOM PHI SIGF FreeF_flag
> 
> * Column Types :
> 
> H H H F W P Q I
> 
> * Associated datasets :
> 
> 0 0 0 0 0 0 0 0
> 
> I see from the manual I need:
> 
> --auto filename for auto-reading mtz files (mtz file has the default 
> labels FWT, PHWT)
> 
> Is there an easy way to join these up? I just want to be able to 
> inspect the map. I use this already to automatically show results from 
> refmac, which works very nicely indeed.
> 
> Many thanks,
> 
> Graeme
> 

- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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