Subject: 2d noesy peaks integartion error linefit faileld to converge
From: cnu4us
Date: Feb 6, 2012

Next: 812


Hello sparky users ,

I am using 2D noesy spectrum (H,H) to do structure calculation , while doing peak integration it is showing errors as follows .

Linefit fails to converge

peaks are not integrating and some other regions it can integrating very few peaks ( around 10% ).

I am using these following parameters to integrating .

integration method : Gaussian fit
allow peak motion : YES
Adjust line width : yes
fit baseline :no
substrata off fit peaks :no
use data above lowest contour :YES
use data with in rectangle :yes
group peaks in contour boundary :yes
group close peaks : yes
max motion : 0.01 0.01
line width : 2.0 2.0
line width max :80.0 80.0
group range : 30.0 30.0
maximum minimization steps : 10000
minimum tolerance : 0.1


any one make some helpful comments !

Regards
Srinivas p
penumutchu.srinivas@...