fix: Agilent Gen5 - fix spectrum data cube label (#1014)

Author: joshua-benchling

src/allotropy/parsers/agilent_gen5/agilent_gen5_structure.py

@@ -1182,8 +1182,23 @@ def create_spectrum_results(
         excitation_bandwidth_setting = 20.0
 
     for well_position, well_absorbance_data in wells_data.items():
+        if measurement_type == MeasurementType.ULTRAVIOLET_ABSORBANCE_CUBE_SPECTRUM:
+            label = "absorbance-spectrum"
+        elif measurement_type in (
+            MeasurementType.EMISSION_FLUORESCENCE_CUBE_SPECTRUM,
+            MeasurementType.EXCITATION_FLUORESCENCE_CUBE_SPECTRUM,
+        ):
+            label = "fluorescence-spectrum"
+        elif measurement_type in (
+            MeasurementType.EMISSION_LUMINESCENCE_CUBE_SPECTRUM,
+            MeasurementType.EXCITATION_LUMINESCENCE_CUBE_SPECTRUM,
+        ):
+            label = "luminescence-spectrum"
+        else:
+            label = "spectrum"
+
         spectrum_data_cube = DataCube(
-            label="absorbance-spectrum",
+            label=label,
             structure_dimensions=[
                 DataCubeComponent(
                     concept="wavelength",

tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_emission_data.json

@@ -52,7 +52,7 @@
                                 ]
                             },
                             "fluorescence emission spectrum data cube": {
-                                "label": "absorbance-spectrum",
+                                "label": "fluorescence-spectrum",
                                 "cube-structure": {
                                     "dimensions": [
                                         {
@@ -117,7 +117,7 @@
             "UNC path": "tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_emission_data.txt",
             "file name": "spectrum_emission_data.txt",
             "ASM converter name": "allotropy_agilent_gen5",
-            "ASM converter version": "0.1.90",
+            "ASM converter version": "0.1.93",
             "software name": "Gen5",
             "software version": "3.12.08"
         },

tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_excitation_data.json

@@ -52,7 +52,7 @@
                                 ]
                             },
                             "fluorescence excitation spectrum data cube": {
-                                "label": "absorbance-spectrum",
+                                "label": "fluorescence-spectrum",
                                 "cube-structure": {
                                     "dimensions": [
                                         {
@@ -116,7 +116,7 @@
             "UNC path": "tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_excitation_data.txt",
             "file name": "spectrum_excitation_data.txt",
             "ASM converter name": "allotropy_agilent_gen5",
-            "ASM converter version": "0.1.90",
+            "ASM converter version": "0.1.93",
             "software name": "Gen5",
             "software version": "3.12.08"
         },

tests/parsers/agilent_gen5/testdata/luminescence/spectral_scan.json

@@ -44,7 +44,7 @@
                                 ]
                             },
                             "fluorescence emission spectrum data cube": {
-                                "label": "absorbance-spectrum",
+                                "label": "luminescence-spectrum",
                                 "cube-structure": {
                                     "dimensions": [
                                         {
@@ -88,7 +88,7 @@
             "UNC path": "tests/parsers/agilent_gen5/testdata/luminescence/spectral_scan.txt",
             "file name": "spectral_scan.txt",
             "ASM converter name": "allotropy_agilent_gen5",
-            "ASM converter version": "0.1.90",
+            "ASM converter version": "0.1.93",
             "software name": "Gen5",
             "software version": "3.12.08"
         },