Fix data flipping logic and update version to 8.7.4

Commented out data reversal in nmr_preprocess.py and corrected data flipping logic in get_data(). Updated package version and download URL in setup.py to 8.7.4.

Author: aeiwz

metbit/nmr_preprocess.py

@@ -212,7 +212,7 @@ def __init__(self, data_path: str, bin_size: float = 0.0003,
                 phase = [dic['procs']['PHC0'], dic['procs']['PHC1']]
 
             data = ng.proc_base.di(data)
-            data = ng.proc_base.rev(data)
+            #data = ng.proc_base.rev(data)
 
 
 
@@ -271,12 +271,18 @@ def __init__(self, data_path: str, bin_size: float = 0.0003,
         self.ppm = ppm
         self.dic_array = dic_list
         self.phase_data = phase_data
+        self.nmr_data = nmr_data
         print("[DEBUG] Type of nmr_data:", type(self.nmr_data))
 
 
     def get_data(self, flip_data=True):
         print("[DEBUG] get_data() called")
-        nmr_data = self.nmr_data.sort_index(inplace=True)
+        nmr_data = self.nmr_data
+        nmr_data.sort_index(inplace=True)
+        if self.flip_data:
+            nmr_data = nmr_data.iloc[:, ::-1]
+        else:
+            nmr_data = nmr_data
         return nmr_data
 
     def get_ppm(self):

setup.py

@@ -12,13 +12,13 @@
 setup(
   name = 'metbit',
   packages = ['metbit'],
-  version = '8.7.3',
+  version = '8.7.4',
   license='MIT',
   description = 'Metabolomics data analysis and visualization tools.',
   author = 'aeiwz',
   author_email = 'theerayut_aeiw_123@hotmail.com',
   url = 'https://github.com/aeiwz/metbit.git',
-  download_url = 'https://github.com/aeiwz/metbit/archive/refs/tags/V8.7.3.tar.gz',
+  download_url = 'https://github.com/aeiwz/metbit/archive/refs/tags/V8.7.4.tar.gz',
   keywords = ['Omics', 'Multivariate analysis', 'Visualization', 'Data Analysis', 'Metabolomics', 'Chemometrics'],
   install_requires=[
           'scikit-learn',