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Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules
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ValueError: negative dimensions are not allowed when processing proton #77

Open jproman opened 1 year ago

jproman commented 1 year ago

Hi all

I am having issues at processing proton resonance files. Apparently, when it is trying to find the baseline signal, it ends up having an array with negative dimensions.

Traceback (most recent call last): File "/lrlhps/users/ys10793/DP5/PyDP4.py", line 844, in main(settings) File "/lrlhps/users/ys10793/DP5/PyDP4.py", line 397, in main NMRData = NMR.NMRData(settings) File "/lrlhps/users/ys10793/DP5/NMR.py", line 74, in init self.ProcessProton(settings,ind1) File "/lrlhps/users/ys10793/DP5/NMR.py", line 214, in ProcessProton = process_proton(NMR_file, settings,self.Type) File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 24, in process_proton total_spectral_ydata, spectral_xdata_ppm, corr_distance, uc, noise_std, peak_regions = spectral_processing(NMR_file, File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 191, in spectral_processing tydata = ACMEWLRhybrid(total_spectral_ydata, corr_distance) File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 400, in ACMEWLRhybrid classification, sigma = baseline_find_signal(y, corr_distance, True, 1) File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 564, in baseline_find_signal sd_set = _get_sd(sample, wd) File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 621, in _get_sd return np.std(_rolling_window(data, k), -1) File "/lrlhps/users/ys10793/DP5/Proton_processing.py", line 617, in _rolling_window return np.lib.stride_tricks.as_strided(a, shape=shape, strides=strides) File "/lrlhps/users/ys10793/dp5env/lib/python3.8/site-packages/numpy/lib/stride_tricks.py", line 105, in as_strided array = np.asarray(DummyArray(interface, base=x)) ValueError: negative dimensions are not allowed

Any idea what is going on?

Thank you very much