Hi Jonathan,
Sorry my previous email was garbled. Thank you very much for your reply. I seem to have made a slight amount of progress, but I am getting hung up when fit_spectrum hands things off to fit_NDregion. I now have output for the spectrum, lineshape, parameters, amplitudes, bounds, ampbounds, centers, rIDs and box width as follows.
[[ 2865.02758789 2520.3059082 2312.50317383 ..., -205.16036987
-354.90591431 -398.24462891]
[ 1395.5300293 991.20330811 928.16766357 ..., -175.32125854
-315.77874756 -227.38514709]
[ -220.14697266 -354.62313843 -161.32113647 ..., -205.51899719
-300.23153687 -70.73509979]
...,
[-1862.59765625 -2096.47631836 -2303.00219727 ..., 444.19104004
451.32055664 450.04867554]
[-2745.17382812 -2980.73266602 -3092.66162109 ..., 369.76657104
443.45373535 543.30914307]
[-3316.6796875 -3295.82275391 -3192.07324219 ..., 280.27035522
404.68154907 521.03979492]]
['pv', 'pv']
[[(0.0, 7.5529999999999999, 0.5), (0.0, 5.8760000000000003, 0.5)], [(0.0, 3.391, 0.5), (0.0, 3.8570000000000002, 0.5)], [(0.0, 5.782, 0.5), (0.0, 4.476, 0.5)], [(0.0, 5.5830000000000002, 0.5), (0.0, 4.21, 0.5)], [(0.0, 3.7370000000000001, 0.5), (0.0, 5.3739999999999997, 0.5)]]
[188062.79999999999, 2070200.0, 195643.79999999999, 213270.70000000001, 236937.20000000001]
[[((None, None), (0.0, None), (0.0, 1.0)), ((None, None), (0.0, None), (0.0, 1.0))], [((None, None), (0.0, None), (0.0, 1.0)), ((None, None), (0.0, None), (0.0, 1.0))], [((None, None), (0.0, None), (0.0, 1.0)), ((None, None), (0.0, None), (0.0, 1.0))], [((None, None), (0.0, None), (0.0, 1.0)), ((None, None), (0.0, None), (0.0, 1.0))], [((None, None), (0.0, None), (0.0, 1.0)), ((None, None), (0.0, None), (0.0, 1.0))]]
[(None, None), (None, None), (None, None), (None, None), (None, None)]
[(447.91199999999998, 116.292), (443.58199999999999, 131.04400000000001), (474.767, 132.797), (482.84399999999999, 134.11099999999999), (452.03899999999999, 146.386)]
[1, 1, 2, 2, 3]
(8.0, 8.0)
As I said above I get the following error.
Traceback (most recent call last):
File "./glueFit.py", line 69, in <module>
fit = ng.analysis.linesh.fit_spectrum(*fit_args, error_flag=True, verb=True)
File "/home/latham/.local/lib/python2.7/site-packages/nmrglue/analysis/linesh.py", line 275, in fit_spectrum
campbounds, wmask, error_flag, **kw)
File "/home/latham/.local/lib/python2.7/site-packages/nmrglue/analysis/linesh.py", line 428, in fit_NDregion
raise ValueError(err % (i, j))
ValueError: Incorrect number of parameters in peak 0 dimension 0
It seems that fit_spectrum is only passing 2 parameters to fit_NDregion, which knows that it needs 3.
Thoughts???
Thanks again for your help!
-Mike