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DNPLab / DNPLab

DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
http://dnplab.net/
MIT License
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dnpTools.integrate doesnt work on 3D data sets (imported from specman) #150

Closed ktagami closed 3 years ago

ktagami commented 3 years ago

What happened: When trying to integrate a 3D file (transient, x, y) I get an error.

local variable 'indirect_coords' referenced before assignment

What you expected to happen:

Minimal Complete Verifiable Example: import dnplab as dnp import numpy as np file_name_path = "2D_Nutation.d01" ws = dnp.dnpImport.load(file_name_path) ws.values = np.abs(ws.values) dnp.dnpTools.integrate(ws,'t')

# Put your MCVE code here

Anything else we need to know?:

Environment:

Output of pip show dnplab
thcasey3 commented 3 years ago

@ktagami the integrate function currently doesn't handle 3D data but this can be added