RE: AMMRL: Bruker folders

From: Christophe Farès <fares_at_mpi-muelheim.mpg.de>
Date: Thu, 29 Oct 2015 17:10:02 +0100

Interesting subject...

Although I have heard this complaint from many users over the years, we long-time Bruker-users tend to simply accept their way of doing things...

I wonder if this could be a solution to keep everybody happy: symbolic links. For users that needed to identify their experiments within a directory list, I remember writing a simple script that automatically created symbolic links with a more descriptive name... I couldn't find the original CSH script, but it went something like this (run from within the data/user/nmr/sample/ folder).

#!/bin/csh

foreach i ( `ls -1 | sed 's/\///'` )
  set exp=`grep PUL $i/acqus | awk '{print $2}' | sed 's/<//' |sed 's/>//'`
  set j="000$i"
  set k=`echo $j | sed 's/.*\(....\)/\1/'`
  ln -s ./$i $k-$exp
end

The directories 1/ 2/ 3/ can be read by topspin, while the links named (0001-pulsprog1/ 0002-pulsprog2/ 0003-pulsprog3/, can be read by human beings....

There might be a problem with data transfer across OS, but I’m not programmer, and perhaps this can also be dealt with…

Cheers

Christophe


> -----Original Message-----
> From: Kenneth Knott [mailto:kknott_at_vt.edu]
> Sent: Mittwoch, 28. Oktober 2015 15:31
> To: Craig Butts; ammrl_at_ammrl.org
> Subject: Re: AMMRL: Bruker folders
>
> Hear, hear Craig and David...
>
> The plight of the VnmrJ user is an arduous one these days. I would say that
> while I'm sure Bruker is reaping the rewards of their virtual monopoly, I think
> as consumers now given little choice of product it's on us to pressure Bruker
> to improve their product by pointing out the 'areas ripe for improvement'...
>
> In any case, for now I'll work with the tools provided me.
>
> Craig, can you expand on this workaround you listed just above. I've looked
> back through the thread for use of 'Disk' and 'Name' but I don't see mention
> of it. Perhaps it was brought to your attention in a direct email?
>
> Thanks!
>
> On Wed, Oct 28, 2015 at 4:09 AM, Craig Butts <Craig.Butts_at_bristol.ac.uk>
> wrote:
>
> > Hi all,
> >
> > I stand corrected and must apologise to Clemens for my comment about
> > Icon above. Icon does enable you to change the filename for every
> > spectrum within a given sample in a flexible fashion. I've just
> > succesfully run a sample through IconNMR which created sub-folders
> > 'Craig_Proton', 'Craig_Carbon', 'Craig_HSQC' by using the 'Disk' and
> > 'Name' entries (and it gracefully dealt with the Composite HSQC
> > experiment wanting to refer back to the 'Craig_Proton' data in a
> > different folder). It's clunky, as it requires user-intervention for a
> > trivial task, but not difficult and it gets the desired result.
> >
> > In a wider perspective, this isn't really a TS-MNova issue - it's a
> > general concern that the default file/folder naming system at the
> > moment is not overly helpful to the casual (non-TS) reader (and don't
> > get me started on the fact that 'zg30' is apparently an informative
> > identifier....). We can't expect MNova, ACD, iNMR, Microsoft Windows,
> > Android, LINUX etc, etc to all modify their software to look inside
> > folders for a parameter name to identify a dataset, when instead a
> > simple fix is to generate meaningful names in the first place.
> >
> > It seems to me that this would be a really simple flag to add into
> > Icon Manager i.e. "append human-readable spectrum identifier into
> > Name" (perhaps not the best name for the flag...). But then I don't
> > have to write the software to do this.
> >
> > [Rich - I'll raise you 250 UK chemists, in 30-odd research groups, of
> > whom a fair number complain regularly about the numbered folders as a
> > proxy for experiment names that they get for free on our other
> > systems. Maybe your folks are more scared of you than they are of me
> *grin*.
> > For those who want to play the now defunct V vs B game - JEOL file
> > nomenclature also lets you put the experiment name into the filename
> > as a default (or you can disable as you wish).]
> >
> > Craig
> >
> >
> > On 28 October 2015 at 03:21, Ian Luck <ian.luck_at_sydney.edu.au> wrote:
> >
> >> An interesting conversation, to which there may be a number of
> >> solutions=
Received on Thu Oct 29 2015 - 06:10:00 MST

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