Main Help Predict NMR Chemical Shifts Component Analysis Determine Glycan Structure

CASPER - Component Analysis

Component Analysis

Project ?
If you want to use structures and shifts from a CCPN
project specify the file name here. The project should
tarred and gzipped (.tar.gz).
Title ?
In this field you type the title of the project or the name of the glycan.
Source ?
This is the literature source of the structure.
Chemical shifts 1D 2D ?
Select if you want to input 1-dimensional and/or 2-dimensional NMR data.
1-dimensional data is 13C and/or 1H chemical shifts.
2-dimensional data is HSQC/HETCOR chemical shifts.
13C 1H
C chemical shifts


Correct by subtracting ppm
H chemical shifts


Correct by subtracting ppm ?
If there is a known systematic error in the chemical shifts a correction can be applied.
Number of chemical shifts Number of chemical shifts
HSQC/HETCOR
C-H chemical shifts


Number of chemical shift pairs
Lysis method: Any Butanolysis Methanolysis Hydrolysis
Butanol: (+)-2-BuOH (-)-2-BuOH

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