Hi,
Thanks for the new script. It kind of works now, it generates a list of peak number, but no line widths.
Selected PeakList I13F_iso_A PeakNumber;PeakWidth 1 2 3 4 5
What am I doing wrong? My pearliest is generated using monoscope. And I have updated the script only at the user defined section.
ProjectName="I13F" SpecId=3 -- enter SpectrumId of Spectrum with PeakList that has BatchList defined (also works with no BatchList) PeakListId=2 -- edit to be equal to ID of PeakList with BatchList defined DimTrace=2 -- 1= F1(direct dim), 2= F2 (indirect dim) -- direction of traces whose linewidths are evaluated DimOrthogonalToTrace=1 -- see above, should be OTHER dimension if DimTrace=1, DimOrthogonalToTrace=2 DeltaPpm = 0.1 -- this is the range of chemical shift around the selected peak to use for lineshape determination Unit = "Hz" -- unit of the horizontal scale: Hz or ppm
MaxAssymetry = 0.2 -- this parameter excludes residues if their Lineshape is too nonsymmetric at halfheight -- Assymetry is 2*(LeftHalfWidth-RightHalfWidth/FullWidth) -- If a reference residue is excluded then this is reported by the script in the Terminal window
--Formatting sp=";" -- spacer symbol used between datapoints in outputfile
FileSuffix=".csv" -- for output file
Rgds, Shubhadra |