Hi Wayne,
I will try that too along with Brian's suggestion to see if I can reduce the
time required.
That may be one of the reasons why it is taking so long... I have increased
the max ppm jump in proton to 0.1 instead of the default 0.05... Futhermore
I think I dont need the default 0.5 in nitrogen.
I'll narrow the maximum limts!
Thank you!
Cheers,
Aldino
-----Mensagem Original-----
From: Wayne Boucher
Sent: Tuesday, January 31, 2012 12:09 PM
To: [log in to unmask]
Subject: Re: Follow shift changes
Hello,
Tim also suggests:
"Setting the "Max Step Size" in the Isotope Parameters section can help
considerably; this should not be too much larger than the maximum ppm jump
along the titration trajectory (for a particular isotope), and will thus
vary according to how many experiments are present etc. If the step size
is to big the number of points that Analysis has to check can grow very
large."
Wayne
On Tue, 31 Jan 2012, Aldino wrote:
> Hi Brian,
>
> thank you for your reply.
> I will try to propagate as many assignments as I can to see if it goes
> faster!
> Unfortunately, this is a rather slow process if you need to process
> several
> data sets (as it is my case)...
>
> Again, thank you for your advice.
>
> Cheers,
> Aldino
>
>
>
> -----Mensagem Original----- From: Brian Smith
> Sent: Tuesday, January 31, 2012 11:50 AM
> To: [log in to unmask]
> Subject: Re: Follow shift changes
>
>
> In our experience, that's probably not unusual. Follow shift changes is
> doing quite a lot of stuff under the hood - it's trying to work out where
> your peaks are moving to as it goes - so can be a bit slow.
>
> We have found that you can help it a lot by picking and propagating
> assignments for as many peaks as you can first - after all you're probably
> going to go and inspect the results afterwards, and it's usually easier to
> do things right first time rather than mess about with deleting wrongly
> picked peaks and disentangling mixed up assignments.
>
> Drawing newly picked peaks is a slow thing, so it may go faster if you do
> this with the spectrum not displayed.
>
> 1.3Ghz is on the slow side for getting decent performance out of analysis
> in my experience.
>
> On Tue, 31 Jan 2012, Aldino wrote:
>
>> I am running the “Follow Shift Changes” module of analysis (2.1.5) in a
>> data set with 7
>> spectra with about 160 peaks each (concentration titration).
>>
>> Apparently it is running OK but I was just wondering: is it normal to
>> take
>> a LOT of
>> time? It has passed 9h and the progress bar is only at 57%....
>>
>> If everything is OK this is not very handy... If I have to change
>> something
>> or if I
>> have different data sets it will take me forever!
>>
>>
>>
>> Ps.: I’m running CCPN under Linux (Ubuntu) in a dual core @1.3GHz with
>> 2GB
>> RAM
>>
>
> Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac
> uk
> Institute of Molecular, Cell and Systems Biology & School of Life
> Sciences,
> College of Medical, Veterinary & Life Sciences,
> Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
> Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
> ----------------------------------------------------------------------
> The University of Glasgow, charity number SC004401
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