Hi Justin,
Thanks a lot for your explanation and help.
Following your introduction I was able to remove the sequence number code.
Best wishes,
Hoa
Quoting Justin Lecher <[log in to unmask]>:
> On 24/01/11 18:56, Hoa Quynh Do wrote:
>> Hello Ccpnmr users,
>>
>> I tried to look for the answers of the below questions in the ccpnmr
>> archive,
>> but still can not find what I need. It could be that I don't have
>> the correct
>> key word. If there is any repeat, I am so sorry for that.
>>
>> My first question regards to the method for calculating the peak volumn.
>> After doing assignment, in the Peak Table (under Peak menu) I have the Fit
>> Method column is blank and Vol. Method contains only option named "box sum".
>> Would you explain how the "Fit Method" work here?
>> I guess the Vol. Method is similar to Integration Method of Sparky
>> (???). "Box
>> sum" is selection of Vol. Method in Ccpnmr. Is there any advantage
>> of using this
>> method in stead of Gaussian fit or Lorentzian fit?
>>
>> My second question is the "sequence number code" when doing
>> assignment, can I
>> remove it? If possible, could you show me how to do that?
>>
>> Thank you very much for your help in advance.
>>
>> Best regards,
>> Hoa
>>
>>
>> ------------------------
>> Hoa Quynh Do, PhD Candidate
>>
>> NRW- Research School BioStruct
>> Heinrich-Heine University of Düsseldorf
>>
>> Research Center Jülich GmbH
>> Institute of Structural Biology and Biophysics (ISB)
>> ISB-3: Structural Biochemistry
>>
>> D-52425 Jülich, Germany
>> Phone: 0049-2461-61-8069
>> Email: q.h.do@fz-jülich.de
>>
>>
>> ----------------------------------------------------------------
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>
> Hi Hoa,
>
> this is what wayne wrote some time ago:
>
> The default method (box sum) just sums a certain number of points around
> the peak position, as determined by the Peak --> Peak Finding dialog in
> the Spectrum Widths tab in the Boxwidth column (which is in points, not
> ppm). The "truncated box sum" makes an attempt to figure out whether the
> peak has ended inside the box (so turned back up again). The "parabolic
> fit" uses the peak position and +- 1 to try and fit a parabola and then
> uses those parameters to fit a Gaussian and so get an estimate that way.
> That is sensitive to noise. None of these methods is particularly good,
> and it is on the TODO list to do better.
>
> There are many more mails on this topic in the archives.
>
>
> Concerning you second question, you just need to do the peak typing and
> not the complete assignment. Therefore you just need to use the "set
> type" button which is the second from left in the assignment dialog. If
> you already assigned it, use the "Deassign Resonance" dialog.
>
> Cheers, justin
>
> --
> Justin Lecher
> Institute of Complex Systems
> ICS-6 Structural Biochemistry
> Research Centre Juelich
> 52425 Juelich, Germany
> phone: +49 2461 61 2117
>
>
>
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