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A python tool for plotting NMR spectra
Home Page: https://miguelarbesu.github.io/nmrplot/
License: MIT License
This is the repository of my personal website, miguelarbesu.xyz.
Powered by Hugo.
Published with Wowchemy โ the free, open source website builder that empowers creators.
Deployed on Netlify.
Matplotlib works in mysterious ways, it would be great if you could pass an ax as an argument in plot_spectrum so that it would plot the bruker data on that same ax.
Hi @miguelarbesu ,
Greetings! I have a file with 1H, and 13C Spectral values predicted, is it possible to use nmrplot to plot it?
Do you have an example that I could work with? Will be really helpful. Attached find an example.
-Regards,
Kohulan
example:
HSQC,C,1,66.74
HSQC,C,2,70.12
HSQC,C,9,41.79
HSQC,C,9,41.79
HSQC,C,3,40.74
HSQC,C,4,25.51
HSQC,C,5,25.51
HSQC,C,6,33.07
HSQC,C,7,32.12
HSQC,C,8,32.12
HSQC,C,0,58.78
HSQC,C,10,117.28
HSQC,C,11,135.73
HSQC,C,12,44.82
HSQC,C,12,44.82
HSQC,H,0,4.01
HSQC,H,1,4.66
HSQC,H,2,4.23
HSQC,H,3,2.91
HSQC,H,4,1.74
HSQC,H,5,2.43
HSQC,H,6,2.74
HSQC,H,7,2.93
HSQC,H,8,3.2
HSQC,H,9,2.38
HSQC,H,9,2.38
HSQC,H,9,2.38
HSQC,H,9,2.38
HSQC,H,9,2.38
HSQC,H,9,2.38
HSQC,H,10,6.77
HSQC,H,11,7.34
HSQC,H,12,2.97
HSQC,H,12,2.97
HSQC,H,12,2.97
HSQC,H,12,2.97
HSQC,H,12,2.97
HSQC,H,12,2.97
HMBC,C,9,171.34
HMBC,C,52,171.34
HMBC,C,14,66.74
HMBC,C,53,66.74
HMBC,C,7,195.71
HMBC,C,12,195.71
HMBC,C,23,195.71
HMBC,C,10,70.12
HMBC,C,19,70.12
HMBC,C,27,70.12
HMBC,C,33,70.12
HMBC,C,54,70.12
HMBC,C,17,41.79
HMBC,C,55,41.79
HMBC,C,17,41.79
HMBC,C,55,41.79
HMBC,C,13,40.74
HMBC,C,25,40.74
HMBC,C,31,40.74
HMBC,C,42,40.74
HMBC,C,57,40.74
HMBC,C,5,25.51
HMBC,C,15,25.51
HMBC,C,20,25.51
HMBC,C,38,25.51
HMBC,C,46,25.51
HMBC,C,50,25.51
HMBC,C,2,33.07
HMBC,C,24,33.07
HMBC,C,26,33.07
HMBC,C,32,33.07
HMBC,C,44,33.07
HMBC,C,48,33.07
HMBC,C,6,32.12
HMBC,C,29,32.12
HMBC,C,35,32.12
HMBC,C,39,32.12
HMBC,C,43,136.16
HMBC,C,45,136.16
HMBC,C,49,136.16
HMBC,C,3,117.3
HMBC,C,0,197.96
HMBC,C,40,197.96
HMBC,C,30,58.78
HMBC,C,36,58.78
HMBC,C,37,58.78
HMBC,C,47,58.78
HMBC,C,51,58.78
HMBC,C,1,204.36
HMBC,C,21,204.36
HMBC,C,41,204.36
HMBC,C,58,204.36
HMBC,C,4,83.4
HMBC,C,11,83.4
HMBC,C,16,83.4
HMBC,C,18,83.4
HMBC,C,28,83.4
HMBC,C,34,83.4
HMBC,C,56,83.4
HMBC,C,8,199.79
HMBC,C,22,199.79
HMBC,C,59,199.79
HMBC,C,60,162.06
HMBC,C,61,150.17
HMBC,C,62,44.82
HMBC,C,62,44.82
HMBC,H,0,4.01
HMBC,H,1,4.01
HMBC,H,2,4.01
HMBC,H,3,4.01
HMBC,H,4,4.01
HMBC,H,5,4.01
HMBC,H,6,4.01
HMBC,H,7,4.66
HMBC,H,8,4.66
HMBC,H,9,4.66
HMBC,H,10,4.66
HMBC,H,11,4.66
HMBC,H,12,4.23
HMBC,H,13,4.23
HMBC,H,14,4.23
HMBC,H,15,4.23
HMBC,H,16,4.23
HMBC,H,17,4.23
HMBC,H,18,2.91
HMBC,H,19,2.91
HMBC,H,20,2.91
HMBC,H,21,2.91
HMBC,H,22,2.91
HMBC,H,23,2.91
HMBC,H,24,2.91
HMBC,H,25,1.74
HMBC,H,26,1.74
HMBC,H,27,1.74
HMBC,H,28,1.74
HMBC,H,29,1.74
HMBC,H,30,1.74
HMBC,H,31,2.43
HMBC,H,32,2.43
HMBC,H,33,2.43
HMBC,H,34,2.43
HMBC,H,35,2.43
HMBC,H,36,2.43
HMBC,H,37,2.74
HMBC,H,38,2.74
HMBC,H,39,2.74
HMBC,H,40,2.74
HMBC,H,41,2.74
HMBC,H,42,2.74
HMBC,H,43,2.74
HMBC,H,44,2.93
HMBC,H,45,2.93
HMBC,H,46,2.93
HMBC,H,47,2.93
HMBC,H,48,3.2
HMBC,H,49,3.2
HMBC,H,50,3.2
HMBC,H,51,3.2
HMBC,H,52,9.2
HMBC,H,53,9.2
HMBC,H,52,9.2
HMBC,H,53,9.2
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,54,2.38
HMBC,H,55,2.38
HMBC,H,56,6.08
HMBC,H,57,6.08
HMBC,H,58,6.08
HMBC,H,59,6.08
HMBC,H,60,12.42
HMBC,H,61,2.97
HMBC,H,62,2.97
HMBC,H,61,2.97
HMBC,H,62,2.97
HMBC,H,61,2.97
HMBC,H,62,2.97
HMBC,H,61,2.97
HMBC,H,62,2.97
HMBC,H,61,2.97
HMBC,H,62,2.97
HMBC,H,61,2.97
HMBC,H,62,2.97
COSY,H,0,4.01
COSY,H,1,4.01
COSY,H,2,4.01
COSY,H,3,4.01
COSY,H,4,4.01
COSY,H,5,4.66
COSY,H,6,4.66
COSY,H,7,4.23
COSY,H,8,4.23
COSY,H,9,4.23
COSY,H,10,4.23
COSY,H,11,4.23
COSY,H,12,2.91
COSY,H,13,2.91
COSY,H,14,2.91
COSY,H,15,2.91
COSY,H,16,2.91
COSY,H,17,1.74
COSY,H,18,1.74
COSY,H,19,1.74
COSY,H,20,1.74
COSY,H,21,1.74
COSY,H,22,1.74
COSY,H,23,2.43
COSY,H,24,2.43
COSY,H,25,2.43
COSY,H,26,2.43
COSY,H,27,2.43
COSY,H,28,2.43
COSY,H,29,2.74
COSY,H,30,2.74
COSY,H,31,2.74
COSY,H,32,2.74
COSY,H,33,2.74
COSY,H,34,2.74
COSY,H,35,2.93
COSY,H,36,2.93
COSY,H,37,2.93
COSY,H,38,2.93
COSY,H,39,3.2
COSY,H,40,3.2
COSY,H,41,3.2
COSY,H,42,3.2
COSY,H,43,9.2
COSY,H,43,9.2
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,44,2.38
COSY,H,45,2.38
COSY,H,46,6.08
COSY,H,47,2.97
COSY,H,47,2.97
COSY,H,47,2.97
COSY,H,47,2.97
COSY,H,47,2.97
COSY,H,47,2.97
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