JSpectraViewer-2

Generate a 2D NMR nmrML file:

Create a 2D nmrML file that JSpectraViewer (and the jsv2 library) can display, either by predicting a 1H-13C HSQC spectrum from assigned 1D spectra, or by processing a 2D COSY or HSQC dataset with nmrglue .

Step 1: Input:

Predicted 1H-13C HSQC from an assigned 1D 1H spectrum and an assigned 1D 13C spectrum of the same compound (.nmrML)

One 2D COSY or HSQC dataset: raw FID or processed spectrum (zipped Bruker or Agilent/Varian experiment folder, NMRPipe .ft2, Sparky .ucsf)

Step 2: Upload the 1D spectra:

1D 1H spectrum (.nmrML with assignments)

1D 13C spectrum (.nmrML with assignments)

Step 2: Upload the 2D dataset:

Magnitude mode (recommended for raw FIDs and COSY; untick for a phase-sensitive spectrum)

Mirror the indirect (F1) dimension