If you don't put INSCALE OFF, the scales will be applied a second
time & you will get (much) worse data
I didn't know anyone was doing this
You should get the same statistics (Rmerge etc) if you reinput an
OUTPUT UNMERGED file with ONLYMERGE; INSCALE OFF
I'll look into how complicated it would be to write both files (but
if you have eg multi-wavelength you might get a lot of files out :-( )
Phil
On 20 Nov 2007, at 15:44, Frank von Delft wrote:
> Does it make a big difference if you *don't* have "INSCALE OFF"? I
> just notice I've been doing it for years.
>
> I use OUTPUT UNMERGED as well in my standard scaling script, in
> which I run two scalas in sequence: the first writes out the
> unmerged data and scales, the second only merges. The purpose is
> to have both unmerged and merged data after I've scaled, the former
> for xprep, pointless etc, the latter for sharp, refinement, etc.
> If scala could dump out both versions I wouldn't bother either.
>
> phx.
>
>
>
>
>
> Clemens Vonrhein wrote:
>> Hi Graeme,
>>
>> even with these options (ONLYMERGE and SCALES CONSTANT) you will have
>> the SCALE column applied again to the intensities (not good) - at
>> least that's how I understood Phil. You need to use
>>
>> ONLYMERGE
>> INSCALE OFF
>>
>> to use the already scaled intensities and avoid applying the SCALE
>> column again - Phil was the one telling me that. I was scratching my
>> head for a long time trying to understand those various
>> INTIAL/ONLYMERGE/INSCALE/NOSCALE options and how they relate to each
>> other ...
>>
>> Cheers
>>
>> Clemens
>>
>> On Mon, Nov 19, 2007 at 08:07:02PM -0000, Winter, G (Graeme) wrote:
>>
>>> Hi Phil,
>>> I use this option but not these columns. The only time I feed
>>> the file back I use "ONLYMERGE" and "SCALES CONSTANT", to remerge
>>> the reflections.
>>> Cheers,
>>> Graeme
>>>
>>> ________________________________
>>>
>>> From: CCP4 bulletin board on behalf of Phil Evans
>>> Sent: Mon 19/11/2007 5:07 PM
>>> To: [log in to unmask]
>>> Subject: [ccp4bb] Unmerged output from Scala
>>>
>>>
>>>
>>> Is anyone using the OUTPUT UNMERGED option in Scala?
>>>
>>> This file contains columns called SCALE & SIGSCALE which are the
>>> applied scale and its SD
>>>
>>> I propose to change the names of these columns so that if you
>>> put the file back into Scala the scales do not get re-applied by
>>> default (which is wrong since they have been applied already)
>>>
>>> Will this cause anyone problems? I suspect that very few people
>>> or programs are using this file
>>>
>>> Phil Evans
>>>
>>>
>>
>>
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