We are hitting the same problems also with students (so no rigidified brains I think) ... the concept of "files" seems absolutely natural (also to them) and when they ask about solving more tricky problems in i2 ... we do the obvious, go back to ccp4i.
I2 is fine when things are smooth and easy. Jan On Wed, Mar 15, 2023 at 3:52 PM Randy John Read <rj...@cam.ac.uk> wrote: > Hi Jon, > > My understanding of the philosophy is that new users would prefer to think > about crystallographic data objects, rather than worrying about the arcana > of MTZ files and the many different flavours of columns. There are > tradeoffs — it can indeed be more difficult to find the bits of information > you need, but you should be thinking in terms of the stored objects from > the imports at the beginning of the project, rather than the files that > hold them. > > Personally, I find multicolumn MTZ files easier to think about, but my > brain probably rigidified a decade or two ago! > > Best wishes, > > Randy > > > On 15 Mar 2023, at 13:09, Jon Cooper < > 0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: > > > > Hello Ian, > > > > if I understand you and Eleanor correctly, this is the philosophy of the > mini-MTZ, i.e. if you are doing anything independent of i2, you have to dig > around a bit to find which output file contains the columns you need. > > > > Best wishes, Jon Cooper. jon.b.coo...@protonmail.com > > > > Sent from Proton Mail mobile > > > > > > > > -------- Original Message -------- > > On 13 Mar 2023, 23:27, Ian Tickle < ianj...@gmail.com> wrote: > > > > > > Eleanor, which program is doing that and more to the point, why? > > > > -- Ian > > > > > > On Mon, 13 Mar 2023 at 20:17, Eleanor Dodson <eleanor.dod...@york.ac.uk> > wrote: > > fIf you are using ccp4I2 for some forgotten reason the final output has > one reflection with I+ and I-, another with Imean, another with Fmean - > aagghh > > > > > > On Mon, 13 Mar 2023 at 19:40, Ian Tickle <ianj...@gmail.com> wrote: > > > > Hi Gottfried > > > > AIMLESS definitely outputs IMEAN (and SIGIMEAN) by default. > > > > Cheers > > > > -- Ian > > > > > > On Mon, 13 Mar 2023 at 18:53, Palm, Gottfried <p...@uni-greifswald.de> > wrote: > > Dear all, > > I have a few questions handling (non) anomalous data: > > By default aimless seems to produce Iplus and Iminus columns. Can I > force it to (also) create an Imean column? > > What does refmac do, when it gets Iplus and Iminus (and their sigmas) as > input. Does it take only one of them or does it calculate and use Imean? > > Greetings > > Gottfried > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > > ----- > Randy J. Read > Department of Haematology, University of Cambridge > Cambridge Institute for Medical Research Tel: +44 1223 336500 > The Keith Peters Building > Hills Road E-mail: > rj...@cam.ac.uk > Cambridge CB2 0XY, U.K. > www-structmed.cimr.cam.ac.uk > > > ######################################################################## > > 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/ > -- Jan Dohnalek, Ph.D Institute of Biotechnology Academy of Sciences of the Czech Republic Biocev Prumyslova 595 252 50 Vestec near Prague Czech Republic Tel. +420 325 873 758 ######################################################################## 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/
