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: [email protected] <mailto:[email protected]>
