update gitignore

.gitignore

@@ -1,5 +1,8 @@
-# experimental data
-data/
+# raw data
+data/Rohdaten
+
+# generated datasets
+datasets/*
 
 # GitHub
 .github/
@@ -10,9 +13,20 @@ data/
 # images
 *.png
 
+# log files
+*.log
+
 #compiled python files
 *.pyc
 
+# generated python objects
 .datamodel_b07_tc/core
+
+# compiled bython files
 .datamodel_b07_tc/__pycache__
-todo.txt
+
+# to do list for this notebook
+todo.txt
+
+# test notebook to try new things
+test_notebook.ipynb

data/calibration/calibration.json

@@ -0,0 +1,74 @@
+{
+    "Hydrogen": {
+        "chemical_formula": "H2",
+        "peak_areas": [
+            71,
+            153,
+            330
+        ],
+        "concentrations": [
+            5,
+            10,
+            20
+        ]
+    },
+    "Carbon monoxide": {
+        "chemical_formula": "CO",
+        "peak_areas": [
+            797,
+            1328,
+            7223
+        ],
+        "concentrations": [
+            0.5,
+            1,
+            5
+        ]
+    },
+    "Carbon dioxide": {
+        "chemical_formula": "CO2",
+        "peak_areas": [
+            0,
+            38653
+        ],
+        "concentrations": [
+            0,
+            50
+        ]
+    },
+    "Methane": {
+        "chemical_formula": "CH4",
+        "peak_areas": [
+            5727,
+            11991
+        ],
+        "concentrations": [
+            5,
+            10
+        ]
+    },
+    "Ethene": {
+        "chemical_formula": "C2H4",
+        "peak_areas": [
+            1122,
+            4864,
+            7297
+        ],
+        "concentrations": [
+            0.5,
+            2,
+            3
+        ]
+    },
+    "Ethane": {
+        "chemical_formula": "C2H6",
+        "peak_areas": [
+            0,
+            12168
+        ],
+        "concentrations": [
+            0,
+            5
+        ]
+    }
+}

data/correction_factors/correction_factors.json

@@ -0,0 +1,6 @@
+{
+    "H2": 1.01,
+    "CO": 0.74,
+    "CO2": 1.00,
+    "CH4": 0.76
+}

data/faraday_coefficients/faraday_coefficients.json

@@ -0,0 +1,8 @@
+{
+    "H2": 2,
+    "CO": 2,
+    "CO2": 2,
+    "CH4": 8,
+    "C2H4": 12,
+    "C2H6": 16
+}