Starting TOC.py, for analysis and calibration of TOC measurements.

defs/TOC.py

@@ -0,0 +1,98 @@
+# Author:       David Tschan
+# Institute:    Paul-Scherrer Institute, Laboratory for Atmospheric Chemistry, Multiphase Chemistry Group, 
+#               Forschungsstrasse 111, 5232 Villigen PSI, Switzerland 
+# Role:         Master Student
+# License:      n/a
+# Date:         2026
+
+### ----------------------------------------------------------------------------------------------------------------------------------- ###
+### SUBMODULE DOCSTRING
+
+"""The docstring for this submodule
+"""
+
+### ----------------------------------------------------------------------------------------------------------------------------------- ###
+### IMPORTS AND CONFIGURATIONS
+
+import numpy as np
+import pandas as pd
+import math
+import warnings
+
+### ----------------------------------------------------------------------------------------------------------------------------------- ###
+### TOC.py
+
+class TC_Calibration():
+
+    def init(self, cal_file):
+
+        self.slope = None
+        self.intercept = None
+        self.R2_value = None
+
+        self.cal_file = cal_file
+        self.date = None
+
+        self.__read_calibration_file()
+
+    def calibrate(self):
+        pass
+
+    def __read_calibration_file(self):
+
+        concentrations = []
+        dilutions =      []
+        A1s =            []
+        A2s =            []
+        A3s =            []
+
+        unit = None
+
+        calibration_results_flag = False
+
+        with open(self.cal_file, 'r', errors = 'ignore') as file:
+
+            results_index = None
+
+            for index, line in enumerate(file.readlines()):
+
+                if index == 8:
+                    unit = line.split()[0]
+
+                if index >= 9 and calibration_results_flag == False:
+
+                    if line.startswith('CALIBRATION RESULTS'):
+
+                        calibration_results_flag = True
+                        continue
+
+                    else:
+
+                        items = line.split()
+
+                        concentrations.append(float(items[0]))
+                        dilutions.append(float(items[1]))
+                        A1s.append(float(items[2]))
+                        A2s.append(float(items[3]))
+                        A3s.append(float(items[4]))
+
+                if calibration_results_flag == True:
+
+                    if line.startswith('-'):
+
+                        if results_index is None:
+                            results_index = index + 1
+                        else:
+                            continue
+
+                        continue
+
+                    items = line.split()
+
+                    if index == results_index:
+                        self.slope = float(items[1])
+                    elif index == results_index + 1:
+                        self.intercept = float(items[2])
+                    elif index == results_index + 2:
+                        self.R2_value = float(items[3])
+