Hi Folks,
I have seen this when you take data from XSCALE to merge in Scala -
the former puts I's on the scale I=F^2 making for very large numbers.
I typically "undo" this scaling factor using pointless -c and the
"multiply" keyword. Multiply by 1/the value reported in XSCALE output.
Pointless is definitely the tool of choice - better than combat.
Best wishes,
Graeme
On 28 March 2010 19:17, Phil Evans <[log in to unmask]> wrote:
> This shouldn't affect any of the XDS programs I think, but if you have a very large negative intensity, SORTMTZ doesn't work.
>
> You can sort the file with POINTLESS (task "Find or Match Laue group" in ccp4i) before running Scala, but it is a bit worrying that you have such a large negative intensity somewhere.
>
> How did you convert data from XDS for Scala?
>
> Phil
>
> On 28 Mar 2010, at 20:13, Paul Lindblom wrote:
>
>> Hi everybody,
>>
>> I just collected a data set at our home source. Processing with XDS worked
>> pretty well, but now I have some problems with scaling (scala, xscale).
>> Following error occurs:
>>
>> Data from file 1 is more negative than -999999.0
>> Minimum value in column 6 is -0.3981E+07
>> You must either scale down the data or change VRSET_MAGIC
>> SORTMTZ: *** ERROR: Program Terminating
>>
>> Can anybody explain what the problem is? I'm relatively new in
>> crystallography.
>>
>> Thank you very much,
>>
>> P.
>
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