Oh dear - I didn’t mean to start this discussion - just to have a private
moan to Ian tickle, but there are some reasons for the regret.
First of all - column names had a meaning . For example a refmac hklout has
labels
f sigf Phic from delfphwt etc and just occasionally one likes to see some
I believe there are many advantages to storing things *internally* as data
objects with metadata instead of as columns of an MTZ file. How many
students know what FP,SIGFP mean? And how many know that the FP,SIGFP
columns in Refmac's HKLIN are not the same as the FP,SIGFP columns in
HKLOUT? In an
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.
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
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
Hi Ian,
The file that aimless/ccp4i produces is exactly as you describe. I noticed the
weird output from aimless/ccp4i2 and hence don't use.
Cheers,
Boaz
Boaz Shaanan, Ph.D.
Dept. of Life Sciences
Ben Gurion University
Beer Sheva, Israel
On Mar 13, 2023 21:40, Ian Tickle wrote:
Hi Gottfried
Eleanor, which program is doing that and more to the point, why?
-- Ian
On Mon, 13 Mar 2023 at 20:17, Eleanor Dodson
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
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 wrote:
>
> Hi Gottfried
>
> AIMLESS definitely outputs IMEAN (and SIGIMEAN) by default.
>
> Cheers
>
>
Hi Gottfried
AIMLESS definitely outputs IMEAN (and SIGIMEAN) by default.
Cheers
-- Ian
On Mon, 13 Mar 2023 at 18:53, Palm, Gottfried
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
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
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