Re: [nmrpipe] Problems using ACME
- All praise PER EUGEN for this clever bit of detective work.
You can also throw stuff at me for making this mistake.
I'll have a look myself and fix it soon.
As my hero Sir Dinadan says:
"Lo, said Sir Dinadan, here may a man prove, be a man never so good
yet may he have a fall, and he was never so wise but he might be
overseen, and he rideth well that never fell."
cheerful regards from OSAKA JAPAN
Quoting Per Eugen Kristiansen <eugen@...>:
> I finally got everything to work fine with ACME after observing that the
> error was connected the size of an array....
> It seems as ACME may have an error depending on the size used on the
> zero fill option prior to fourier transform (works with -auto!).
> Changing the zero fill option I was able to fit the COSY with
> ACME.(Error message went away!) Im not sure why I had the problem, all
> spectra looked good in nmrDraw and sparky....
> Best regards
> per eugen
> On 18.06.2007 18:29, Tom Anderson wrote:
>> I have been using ACME extensively over the last several months. Can you
>> be more descriptive about what you mean when you say "nothing happens."
>> You don't have to alter the starting values to get results from a fit
>> (sometimes it's better if you do, but it's not essential).
>> It sounds like you have everything processed properly, so I'm not sure
>> why you aren't at least getting some sort of peak simulation.
>> Tom Anderson
>> On 6/18/07, * Per Eugen Kristiansen* <eugen@kjemi. uio.no
>> <mailto:eugen@...>> wrote:
>> I am trying to use ACME to extract J couplings from a data set. I have
>> succeeded in obtaining a spectra with and without the diagonal as
>> described in the manual.
>> When I use ACME on the test data set everything seems to work fine,
>> peaks are fitted and they show up in the fitting widow.......
>> However, when i try to fit my experimental data nothing seems to
>> It does not matter if I try to fit the diagonal or the cosy-cross peaks
>> i don't get a result in either fitting routine. I believe that the I
>> have problems with the starting values of the fitting, but since no
>> error messages or other kinds of messages are printed I'm don't know
>> what to do.
>> I hope that someone out there can help me.
>> best regards
>> per eugen
>> Tom Anderson
>> Graduate Student
>> Department of Chemistry
>> University of Illinois at Urbana-Champaign
>> 450 Roger Adams Laboratory
>> 600 S. Matthews Ave.
>> Urbana, IL 61801
>> (217) 333 6459
>> tander21@uiuc. edu <mailto:tander21@...>