Re: AMMRL: Bruker folders

From: Craig Butts <Craig.Butts_at_bristol.ac.uk>
Date: Mon, 26 Oct 2015 19:05:53 +0000

Hear hear Ken. I'd add to the list with:

Non-NMR software has no hope of looking inside the data for information to
help the searcher. For example, if we archive the data after publication
the numeric file system is simply obstructive for searching without TS.

And ICON gives no capability to enact Clemens' workaround.... This is
especially annoying as ICON is becoming increasingly applicable and
flexible for day-to-day operation (and non-routine e.g. INSIGHT-MR?). We do
nearly everything through it...

Craig
On 26 Oct 2015 6:23 pm, "Kenneth Knott" <kknott_at_vt.edu> wrote:

> Thanks everyone for the suggestions and input.. But I think I've found a
> correlation. The people who aren't too bothered by the Bruker data system
> are those using Topspin and it's included browser to process their data.
>
> Unfortunately, many of us process our data off the instrument using
> alternative means. We, here at Virginia Tech, use Mnova to process our data
> for a number of reason. The first being we find it to be superior to all
> others in processing. But also for a number of other reasons.
>
> 1) Users our trained on one processing software package in a multiplatform
> environment (Mix of Burker and Agilent/Varian sytems)
> 2) NUS processing is included (for free) and far superior (much faster)
> to Topsim
>
> In any case, when processing outside of Topshim you rely on the file.
> system to describe your data sets. Here is where Topshim fails
> miserably...
>
> 1) Exp numbers for folders is wholly undescriptive...
> 2) Even inside the folder, one cannot tell at a glance what the experiment
> is outside of 1D or 2D
>
> Sure there are ways around this once the data is loaded into Mnova using
> titles, but Bruker Topspin falls far short in this regard and I'm
> astonished that you cannot give the experiment folders any kind of
> descriptor.
>
> Thanks again for the help.
>
>
>
> On Fri, Oct 23, 2015 at 3:38 PM, Kenneth Knott <kknott_at_vt.edu> wrote:
>
>> So one thing that has always frustrated me about Topspin is that is saves
>> all folders simply by the experimetn number. This gets very difficult to
>> keep track of when I've got a suite of experiments or add to them over
>> time.
>>
>> It seems to me that there must be a way to alter this to save perhaps by
>> experiment number AND parameter set.. for example 10-C13CPD or
>> 20-PROTONRO, etc...
>>
>> Can this be done? If not, how do you get around this issue?
>>
>> I have found the bruker 'hotline' to be less than helpful with issues
>> such as this...
>>
>> Thanks!
>>
>> --
>> Ken Knott
>> Department of Chemistry
>> Analytical Services
>> Virginia Tech
>>
>> (540)267-6502 (Cell)
>> (540)231-0885 (Office)
>>
>
>
>
> --
> Ken Knott
> Department of Chemistry
> Analytical Services
> Virginia Tech
>
> (540)267-6502 (Cell)
> (540)231-0885 (Office)
>
Received on Mon Oct 26 2015 - 09:05:49 MST

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