[ccp4bb] ice rings

Hi, All CCP4 users, This might be a little off-topic, but I cannot find a mail list for XDS. During XDS processing, we can exclude the resolution range to "remove" ice ring. In my case, when I excluded these range, the completeness at this range will be much lower, ~45%. N 1/d^2Dmid

[ccp4bb] ice rings

Hi, All CCP4 users -- *** Charles Chen Research Instructor University of Pittsburgh School of Medicine Department of Anesthesiology **

[ccp4bb] microdiffraction data assembly method

Hi, CCP4ers, I came across this paper about improving data by microdiffraction data assembly method from Raymond C. Stevens group, https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3338336/#SD1. By reading their methods, this seems to me like manually selecting data based on Rmerge. After almost 5

Re: [ccp4bb] reject images based on Rmerge

y of the data. > > The program xdscc12 allows you to find out the influence of frames on the > CC1/2 in a user-specified number of resolution range. This would tell you > if those frames deteriorate your merged data, or not. Rmerge is the wrong > value to look at. > > best, &

Re: [ccp4bb] reject images based on Rmerge

be some problem in the data collection for that to happen.. > > Eleanor > > On 9 November 2017 at 19:04, CPMAS Chen <cpmas...@gmail.com> wrote: > >> Hi All, >> >> Is there a way to reject diffraction images based on Rmerge? >> >> When I processed my dat

[ccp4bb] reject images based on Rmerge

Hi All, Is there a way to reject diffraction images based on Rmerge? When I processed my data with XDS, I use AIMLESS in CCP4 to get merged, truncated data. However, there is quite some images with high Rmerge, say larger than 1. Is there a keyword I can use to reject these images based a Rmerge

Re: [ccp4bb] wavelet application in CCP4

at a slightly earlier > publication by Vladimir Lunin in > > > Acta Cryst (2000) A56, 73-84 > > "Fixed-scale wavelet-type approximation of periodic density distributions." > > > Best regards, > > > Sacha Urzhumtsev > > > > ----

[ccp4bb] wavelet application in CCP4

Dear, All I happen to see this paper, Low-resolution phase extension using wavelet analysis. Main P 1, Wilson J However, I did

[ccp4bb] invalid dataset in BLEND

Dear All, when I use BLEND to analyze XDS-POINTLESS processed mtz files, some are reported as invalid datasets. Do you guys have some suggestions on what could be wrong with the datasets? I processed these datasets in the same way, XDS and then POINTLESS. I am looking the detail of the

[ccp4bb] merge weak anomalous signal from multiple datasets

Dear CCP4 users, Recently, I got some datasets with weak anomalous Br signal. I tried to merge them according to Q. Liu et al Science 336, p1033 (2012). I am using the script multiscale@SSRL. The merged dataset has WEAKER anomalous signals. Liu et al used SCALA for scaling and merging while

[ccp4bb] XDS, refinement not converge

Hi, there, I saw some warning info during XDS data processing, !!! WARNING !!! REFINEMENT DID NOT CONVERGE LAST CORRECTION SHIFT WAS 6.1E-02 (should be 1.0E-03) I have tries the suggested method, REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE This warning is still

[ccp4bb] Rmerge or Rpim for multiple datasets collected at different intensities

Hi, All CCP4BB Users, I have quite some data sets(~15) collected at different beam intensities, the individual dataset can diffract to ~3.8 A @I/dI=2. If I combine them, with AIMLESS in CCP4, the resolution can be extended to ~3A@I/dI=2. But, the Rmerge or Rpim is way high, in 10s or even 100s.

Re: [ccp4bb] Rmerge or Rpim for multiple datasets collected at different intensities

, notably maximum likelyhood based refinement programs like refmac or buster. Best, Tim On 09/04/2014 07:25 PM, CPMAS Chen wrote: Hi, All CCP4BB Users, I have quite some data sets(~15) collected at different beam intensities, the individual dataset can diffract to ~3.8 A @I/dI=2