And you can use the "IGNORE OVERLOADS" keyword while loading the hi-res
set to prevent denzo from trying to salvage the overloaded spots by
profile-fitting the non-overloaded pixels, since they can better be
obtained from the low-res pass. "INCLUDE OVERLOADS" to turn them back
on for the low-res pass, if it is loaded last). In principle this is
better than limiting resolution because you can still use the weak
low-res spots to scale, giving overlap over a wider resolution range.
To set reference .img or .sca, use "reference" keyword:
reference film 4
sector 1 to 189
file 1 '/data/xray/chess110219/nod1-03_2_###.p3'
or
FORMAT scalepack
reference batch 1
file 1 '/a/denzo/chess110430/nod1_25/nod1_p3121.sca'
Machius, Mischa Christian wrote:
> Dear Pengfei,
>
> Indeed, for "HDR crystallography" ("high dynamic range") simply
> (integrate and) scale both batches of images at the same time in
> HKL2000. Depending on the space group, make sure indexing is consistent
> between the two datasets. Scaling then takes care of combining the two
> batches. Depending on how many overloads you have in the high-exposure
> datasets you may have to adjust the resolution ranges to avoid scaling
> problems. The two batches must have a sufficient number of
> well-measured, identical HKLs between them to figure out the relative
> scale factors.
>
> Hope that helps.
>
> Cheers,
> MM
>
>
> On May 30, 2011, at 2:13 PM, Pengfei Fang wrote:
>
>> Dear All,
>>
>> I have two data sets from one crystal.
>> One had short exposures to keep the low resolution reflections from
>> saturating. The other had long exposure to get high resolution data.
>> I am wondering how two merge these two data sets into one file that I
>> can use for refinement.
>>
>> The two sets already scaled by HKL2000. Now I have two .sca files.
>>
>> Thanks a lot!
>> Pengfei Fang
>>
>>
>
> -----------------------------------------------------------------------
> Mischa Machius, PhD
> Director, Center for Structural Biology
> Assoc. Professor, Dept. of Pharmacology
> Member, Lineberger Comprehensive Cancer Center
> University of North Carolina
> 4079 Genetic Medicine
> CB#7365
> 120 Mason Farm Road
> Chapel Hill, NC 27599-7365, U.S.A.
> tel: +1-919-843-4485
> fax: +1-919-966-5640
> email: [log in to unmask] <mailto:[log in to unmask]>
>
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