Open NightflyerX opened 1 year ago
Apart from the correct phasing, and optionally using a different way remove the digital filter, I find that I can read and process the spectrum correctly using nearly the same script as you.
dic, data = ng.bruker.read("./")
datap = ng.proc_base.em(data, lb=1/dic["acqus"]["SW_h"])
datap = ng.proc_base.fft(data)
datap = ng.bruker.remove_digital_filter(dic, datap, post_proc=True)
datap = ng.proc_autophase.autops(datap, fn='acme', disp=False)
datap = ng.proc_base.rev(datap)
udic = ng.bruker.guess_udic(dic, datap, strip_fake=True)
uc = {i: ng.fileiobase.uc_from_udic(udic, dim=i) for i in range(udic["ndim"])}
fig, ax = plt.subplots(figsize=(8, 2))
ax.plot(uc[0].ppm_scale(), datap.real, linewidth=0.5)
ax.set_ylim(-1e7, 1e8)
ax.set_xlim(4.1, 1.0)
ax.set_title("zoomed in to better see the small peaks", fontsize=12)
plt.show()
Wow, thank you so much :) It works like a charm. Adding the integrals like in the examples was still a pain though - but works now.
Hi, I tried reading a Bruker NMR file, but somehow I only get a weird spectra:![Figure_1](https://user-images.githubusercontent.com/33702858/205012143-c7099667-5148-4fb4-ab5a-4b6e60a479b8.png)
RawData from Bruker