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brukeropusreader
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FIX wrong setting of wavenumbers axis

This commit is contained in:
atravert 2020-05-28 09:37:34 +02:00
parent 6f08be0fca
commit e095621319
2 changed files with 7 additions and 4 deletions
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4
brukeropusreader/opus_data.py
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@ -7,8 +7,8 @@ class OpusData(dict):
param_key = f"{spec_name} Data Parameter" param_key = f"{spec_name} Data Parameter"
fxv = self[param_key]["FXV"] fxv = self[param_key]["FXV"]
lxv = self[param_key]["LXV"] lxv = self[param_key]["LXV"]
# NPT and REAL NUMBER OF POINTS may differ # the number of points here is OK. It is "AB" that can return more values (equals to zero)
npt = self[spec_name].shape[0] npt = self[param_key]["NPT"]
x_no_unit = np.linspace(fxv, lxv, npt) x_no_unit = np.linspace(fxv, lxv, npt)
if wavenums: if wavenums:
return x_no_unit return x_no_unit

7
example.py
View File

@ -11,14 +11,17 @@ def main(path_to_file):
print(f"Data fields: " f"{list(opus_data.keys())}") print(f"Data fields: " f"{list(opus_data.keys())}")
ab_x = opus_data.get_range("AB") ab_x = opus_data.get_range("AB")
# the "AB" data can contain more null values at the end (at least 1)
# so the getting useful data requires slicing the array:
abs = opus_data["AB"][0:len(ab_x)]
print(f"Absorption spectrum range: " f"{ab_x[0]} {ab_x[-1]}") print(f"Absorption spectrum range: " f"{ab_x[0]} {ab_x[-1]}")
print(f"Absorption elements num: " f'{len(opus_data["AB"])}') print(f"Absorption elements num: " f'{len(abs)}')
try: try:
import matplotlib.pyplot as plt import matplotlib.pyplot as plt
print("Plotting AB") print("Plotting AB")
plt.plot(opus_data.get_range("AB"), opus_data["AB"]) plt.plot(opus_data.get_range("AB"), abs)
plt.show() plt.show()
print("Plotting interpolated AB") print("Plotting interpolated AB")