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 <[log in to unmask]> 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. [log in to unmask]
>
> Sent from Proton Mail mobile
>
>
>
> -------- Original Message --------
> On 13 Mar 2023, 23:27, Ian Tickle < [log in to unmask]> wrote:
>
>
> Eleanor, which program is doing that and more to the point, why?
>
> -- Ian
>
>
> On Mon, 13 Mar 2023 at 20:17, Eleanor Dodson <[log in to unmask]> 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 <[log in to unmask]> wrote:
>
> Hi Gottfried
>
> AIMLESS definitely outputs IMEAN (and SIGIMEAN) by default.
>
> Cheers
>
> -- Ian
>
>
> On Mon, 13 Mar 2023 at 18:53, Palm, Gottfried <[log in to unmask]> 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
>
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-----
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: [log in to unmask]
Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
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