Dear Jiang If you gave Mosflm the “correct” space group, then you can skip the Pointless step, but I don’t think the pipelines in ccp4i and certainly ccp4i2 let you do that. However, it shouldn’t hurt.
I don’t think you can skip the merging step in Aimless, and anyway it is that step which generates the Table 1 statistics. You don’t have to use the output file, of course I do recommend the newer ccp4i2 interface (not so new now), it produces much better reports, and the Table 1 can be exported as a CSV file for direct import into a paper Good luck Phil Sent from my iPad > On 16 Jun 2021, at 23:35, Jiang Xu <foxj...@gmail.com> wrote: > > > Hello Phil, > I just read my email and found I may not ask the question clearly. So my > question is, should I use the integrated data from Imosflm, or should I use > the output from Pointless as the input of Aimless to do scale without merging > the data? > Thank you, > Best, > Jiang > Lin Chen Research Group > University of Southern California > >> On Wed, Jun 16, 2021 at 2:51 PM Jiang Xu <foxj...@gmail.com> wrote: >> Hello Phil, >> Thank you for the comments. I noticed that the ccp4 package I used was >> 7.0. After upgrading to the latest version, the problem was solved. >> I also have another question about Aimless. I want to use aimless to >> scale without merging the data for generating the "table1" of my data. I >> noticed that in your original publication, one way of doing the scale is to >> use the "Quick Scale" button in Imosflm, in which the output from Pointless >> will be the input of Aimless. However, I also noticed that some posts claim >> that the input of Aimless could also be from the integrated data file from >> Imosflm. I tried both ways and found no problem. So which way is the correct >> way for my purpose? >> Thank you, >> Best, >> Jiang >> Lin Chen Research Group >> University of Southern California >> >>> On Wed, Jun 16, 2021 at 12:10 PM Phil Evans <p...@mrc-lmb.cam.ac.uk> wrote: >>> I think it’s trying to write a file TILEIMAGE.img to a directory where you >>> aren’t allowed to write. I can’t remember what is done in ccp4i - I believe >>> it should work ok in ccp4i2, which produces better reports, and is >>> generally recommended as a replacement for ccp4i >>> >>> As a workaround, you might be able to assign the file to somewhere you are >>> allowed to write. Before running ccp4i, type something like (for tosh / >>> cash, not sure about bash) >>> >>> setenv TILEIMAGE /some/suitable/directory/TILEIMAGE.img >>> >>> This file is an image of the correction factors for a tiled ccd detector >>> >>> I can look at this next week, to see if I can work out what is happening >>> >>> Phil >>> >>> Sent from my iPad >>> >>>>> On 16 Jun 2021, at 18:52, Jiang Xu <foxj...@gmail.com> wrote: >>>>> >>>> >>>> Hello guys, >>>> I am having some problems running Aimless from the CCP4i packages. I >>>> want to scale without merging the data. The input mtz file for aimless was >>>> either the mtz file directly from Imosflm integration, or from Pointless >>>> from a previous run on Imosflm. I ran both pointless and aimless >>>> successfully on the Imosflm UI, after integration. However I just couldn't >>>> do it from the CCP4i. From the log it seems there's always an error >>>> message: "#CCP4I TERMINATION STATUS 0 "OpenFile: cannot open file >>>> TILEIMAGE.img" >>>> I googled this line and found no hit. So does anyone know what's >>>> happening and how to solve this problem? >>>> Thank you, >>>> Best, >>>> Jiang Xu >>>> Lin Chen Research Group >>>> University of Southern California >>>> >>>> >>>> To unsubscribe from the CCP4BB list, click the following link: >>>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >>>> >>>> <aimless_fail_log.txt> ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
