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Original file line number Diff line number Diff line change
Expand Up @@ -127,6 +127,7 @@ class MeasurementGroup:
container_type: str | None = None

processed_data: ProcessedData | None = None
custom_info: dict[str, Any] | None = None


@dataclass(frozen=True)
Expand Down Expand Up @@ -194,16 +195,19 @@ def _get_technique_document(
) -> SpectrophotometryDocumentItem:
return SpectrophotometryDocumentItem(
analyst=measurement_group.analyst,
measurement_aggregate_document=MeasurementAggregateDocument(
measurement_time=self.get_date_time(
assert_not_none(measurement_group.measurement_time)
measurement_aggregate_document=add_custom_information_document(
MeasurementAggregateDocument(
measurement_time=self.get_date_time(
assert_not_none(measurement_group.measurement_time)
),
experiment_type=measurement_group.experiment_type,
container_type=metadata.container_type,
measurement_document=[
self._get_measurement_document_item(measurement, metadata)
for measurement in measurement_group.measurements
],
),
experiment_type=measurement_group.experiment_type,
container_type=metadata.container_type,
measurement_document=[
self._get_measurement_document_item(measurement, metadata)
for measurement in measurement_group.measurements
],
measurement_group.custom_info,
),
)

Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -124,6 +124,9 @@ def create(
analyst=header.analyst,
measurement_time=header.measurement_time,
experiment_type=experiment_type.value,
custom_info=reader.header.get_unread(skip={"File Name"})
if reader.header
else {},
measurements=[
Measurement(
type_=experiment_type.measurement_type,
Expand All @@ -139,7 +142,7 @@ def create(
for _, row in data.iterrows():
row_data = SeriesData(row)
measurements = _get_absorbance_measurements(
row_data, experiment_type, wavelength_cols
row_data, experiment_type, wavelength_cols, reader.header
)
measurement_groups.append(
MeasurementGroup(
Expand Down Expand Up @@ -196,6 +199,7 @@ def _get_absorbance_measurements(
data: SeriesData,
experiment_type: ExperimentType,
wavelength_cols: dict[int, str],
header: SeriesData | None = None,
) -> list[Measurement]:
if experiment_type == ExperimentType.QUANT:
ordinate_col = "Ordinate [A]"
Expand Down Expand Up @@ -232,6 +236,10 @@ def _get_absorbance_measurements(
absorbance=measurement.absorbance,
dilution_factor_setting=data.get(float, "Dilution factor"),
detector_wavelength_setting=try_float_or_none(measurement.wavelength),
custom_info={
**data.get_unread(skip={"Result"}),
**(header.get_unread(skip={"File Name"}) if header else {}),
},
)
for measurement in absorbance_measurements
]
Expand Down
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