# Parameters for sum over box mode. Spectrum values are taken at nearest

# spectrum grid point.

box_samples = (9, 9)

box_size_ppm = (0.2, 0.5) # PPM box size along w1, w2 axes.

It is not clear to me why one needs to define here BOTH the number of points AND the box size in ppm, as it would depend on the digital resolution in each dimension. Using both these definition of the box, one is obliged to calculate the digital resolution of the spectra in order to give consistent values for box_samples and box-size_ppm, whereas if one uses only the number of points, the size of the box in ppm would be automatically calculated by the digital resolution.

Any suggestion?

Stefano

Hi Stefano,

Actually it looks like I modifed the Sparky relaxation code to do this back in 2007 for someone. Ive attached the relaxbox.py file that replaces

sparky/python/sparky/relax.py

adding a sum over box mode. The box size is 9 by 9 pixels hard-coded at the top of the relaxbox.py file. Also the ppm per pixel is hard-coded. Youd need to edit that. Not sure whether this code works or not but you could try.

Tom

Hello,
I would like to measure peak intensities in an HSQC spectrum as the summed signal in windows of 5×3 (1H×15N) points centered on the peak. Could anyone give a detailed procedure on how to do this?
Stefano