diff --git a/pyproject.toml b/pyproject.toml index f074e921f..db3ef1315 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,6 +34,7 @@ authors = [ { name = "Stephen Worlow", email = "stephen.worlow@benchling.com" }, { name = "Brian Worth", email = "brian@benchling.com" }, { name = "Alex Reis", email = "alex@manifold.bio" }, + { name = "Jane Dance", email = "jane.dance@abcellera.com" }, ] classifiers = [ "License :: OSI Approved :: MIT License", diff --git a/src/allotropy/parsers/moldev_softmax_pro/softmax_pro_structure.py b/src/allotropy/parsers/moldev_softmax_pro/softmax_pro_structure.py index b0f0dfa87..b03b19143 100644 --- a/src/allotropy/parsers/moldev_softmax_pro/softmax_pro_structure.py +++ b/src/allotropy/parsers/moldev_softmax_pro/softmax_pro_structure.py @@ -726,6 +726,7 @@ def create( msg="unable to find raw data from time block.", ) set_columns(data, columns) + return TimeWavelengthData( wavelength=wavelength, measurement_data=[ @@ -798,15 +799,72 @@ def create( reader: CsvReader, header: PlateHeader, ) -> TimeData: + raw_data = None + reduced_data = None + + # Read raw data if data_type is RAW or BOTH + if header.data_type in (DataType.RAW.value, DataType.BOTH.value): + raw_data = TimeRawData.create(reader, header) + # For REDUCED only, create synthetic raw data with error message + else: + raw_data = TimeData._create_synthetic_raw_data(header) + + # Read reduced data if available, regardless of data_type (RAW can have reduced data!) + if reader.current_line_exists(): + reduced_data = TimeReducedData.create(reader, header) + return TimeData( - raw_data=TimeRawData.create(reader, header), - reduced_data=( - TimeReducedData.create(reader, header) - if reader.current_line_exists() - else None - ), + raw_data=raw_data, + reduced_data=reduced_data, ) + @staticmethod + def _create_synthetic_raw_data(header: PlateHeader) -> TimeRawData: + """Create synthetic raw data with error messages when only reduced data is available.""" + synthetic_wavelength_data = [] + + for wavelength in header.wavelengths: + # For each position in the plate, create a data element with an error document + num_cols = header.num_columns + num_rows = header.num_rows + + # Create synthetic data elements for all well positions + data_elements = {} + for row in range(1, num_rows + 1): + for col in range(1, num_cols + 1): + position = f"{num_to_chars(row-1)}{col}" + data_elements[position] = DataElement( + uuid=random_uuid_str(), + plate=header.name, + temperature=None, + wavelength=wavelength, + position=position, + value=NEGATIVE_ZERO, + error_document=[ + ErrorDocument("Not reported", header.read_mode) + ], + elapsed_time=[ + 0.0 + ], # Add a dummy value to ensure array is not empty + kinetic_measures=[ + NEGATIVE_ZERO + ], # Add a dummy value to ensure array is not empty + ) + + # Create a single TimeMeasurementData with all positions + measurement_data = [TimeMeasurementData(data_elements=data_elements)] + + # Add this wavelength data to our list + synthetic_wavelength_data.append( + TimeWavelengthData( + wavelength=wavelength, + measurement_data=measurement_data, + ) + ) + + # Create TimeRawData with our synthetic wavelength data + return TimeRawData(wavelength_data=synthetic_wavelength_data) + def iter_data_elements(self, position: str) -> Iterator[DataElement]: for time_wavelength_data in self.raw_data.wavelength_data: for measurement_data in time_wavelength_data.measurement_data: @@ -892,8 +950,12 @@ def get_read_mode(cls, read_type: str, read_mode_raw: str) -> str: @classmethod def check_data_type(cls, data_type: str) -> None: - if data_type not in (DataType.RAW.value, DataType.BOTH.value): - msg = f"The SoftMax Pro file is required to include either 'Raw' or 'Both' (Raw and Reduced) data for all plates, got {data_type}." + if data_type not in ( + DataType.RAW.value, + DataType.BOTH.value, + DataType.REDUCED.value, + ): + msg = f"Unexpected data type: {data_type}, supported values are RAW, REDUCED, or BOTH." raise AllotropeConversionError(msg) @classmethod diff --git a/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.json b/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.json new file mode 100644 index 000000000..2b9090ac9 --- /dev/null +++ b/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.json @@ -0,0 +1,17099 @@ +{ + "$asm.manifest": "http://purl.allotrope.org/manifests/plate-reader/REC/2025/03/plate-reader.manifest", + "plate reader aggregate document": { + "plate reader document": [ + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_0", + "sample document": { + "location identifier": "A1", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Standards" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CV Result": "Pass" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_96", + "sample document": { + "location identifier": "A1", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Standards" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CV Result": "Pass" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_1", + "sample document": { + "location identifier": "A2", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Standards" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CV Result": "Pass" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_97", + "sample document": { + "location identifier": "A2", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Standards" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CV Result": "Pass" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_2", + "sample document": { + "location identifier": "A3", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Matrix_Spike_2" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVResult": "Pass" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_98", + "sample document": { + "location identifier": "A3", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Matrix_Spike_2" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVResult": "Pass" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_3", + "sample document": { + "location identifier": "A4", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Matrix_Spike_2" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVResult": "Pass" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_99", + "sample document": { + "location identifier": "A4", + "sample identifier": "01", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Matrix_Spike_2" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVResult": "Pass" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_4", + "sample document": { + "location identifier": "A5", + "sample identifier": "08", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_100", + "sample document": { + "location identifier": "A5", + "sample identifier": "08", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_5", + "sample document": { + "location identifier": "A6", + "sample identifier": "08", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + }, + { + "device control 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"unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_104", + "sample document": { + "location identifier": "A9", + "sample identifier": "24", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_9", + "sample document": { + "location identifier": "A10", + "sample identifier": "24", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_105", + "sample document": { + "location identifier": "A10", + "sample identifier": "24", + "well plate identifier": "Plate1", + "custom information document": { + "group identifier": "Samples" + } + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + }, + "custom information document": { + "CVresult": "Pass", + "R": "nan" + } + } + ], + "measurement time": "2025-01-17T12:13:53+00:00", + "plate well count": { + "value": 96, + "unit": "#" + }, + "container type": "well plate" + } + }, + { + "measurement aggregate document": { + "measurement document": [ + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 450.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_10", + "sample document": { + "location identifier": "A11", + "sample identifier": "Plate1 A11", + "well plate identifier": "Plate1" + }, + "absorbance": { + "value": -0.0, + "unit": "mAU" + }, + "error aggregate document": { + "error document": [ + { + "error": "Not reported", + "error feature": "Absorbance" + } + ] + } + }, + { + "device control aggregate document": { + "device control document": [ + { + "device type": "plate reader", + "detection type": "Absorbance", + "detector wavelength setting": { + "value": 650.0, + "unit": "nm" + } + } + ] + }, + "measurement identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_106", + "sample document": { + "location identifier": "A11", + "sample identifier": "Plate1 A11", + "well plate identifier": 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document": { + "data source document": [ + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_81", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_177", + "data source feature": "Absorbance" + } + ] + } + }, + { + "calculated data name": "SD", + "calculated result": { + "unit": "(unitless)", + "value": 0.358 + }, + "calculated data identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_554", + "calculation description": "Stdev(Result)", + "data source aggregate document": { + "data source document": [ + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_80", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_176", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_81", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_177", + "data source feature": "Absorbance" + } + ] + } + }, + { + "calculated data name": "Value", + "calculated result": { + "unit": "(unitless)", + "value": 0.266 + }, + "calculated data identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_555", + "calculation description": "!WellValues", + "data source aggregate document": { + "data source document": [ + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_80", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_176", + "data source feature": "Absorbance" + } + ] + } + }, + { + "calculated data name": "Value", + "calculated result": { + "unit": "(unitless)", + "value": 0.255 + }, + "calculated data identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_556", + "calculation description": "!WellValues", + "data source aggregate document": { + "data source document": [ + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_81", + "data source feature": "Absorbance" + }, + { + "data source identifier": "MOLDEV_SOFTMAX_PRO_TEST_ID_177", + "data source feature": "Absorbance" + } + ] + } + } + ] + }, + "data system document": { + "ASM file identifier": "N/A", + "data system instance identifier": "N/A", + "UNC path": "tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.txt", + "file name": "softmaxpro_example_reduced.txt", + "ASM converter name": "allotropy_molecular_devices_softmax_pro", + "ASM converter version": "0.1.93", + "software name": "SoftMax Pro" + }, + "device system document": { + "device identifier": "N/A", + "model number": "N/A" + } + } +} diff --git a/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.txt b/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.txt new file mode 100644 index 000000000..9e43757ff --- /dev/null +++ b/tests/parsers/moldev_softmax_pro/testdata/softmaxpro_example_reduced.txt @@ -0,0 +1,186 @@ +##BLOCKS= 8 +Note: +Summary1 R2 of standard graph = 1.000 RSquared(Std@StandardCurve) 3 decimal places Numeric Notation +Summary2 R2 Result = Pass If (Summary1>=Rsquared@Notes1,"Pass","Fail") 3 decimal places Numeric Notation +MinSpikeRecovery Minimum % Spike Recovery = 83.834 Min(%SpikeRecovery@Matrix_Spike_1) 3 decimal places Numeric Notation +MaxSpikeRecovery Maximum % Spike Recovery = 83.834 Max(%SpikeRecovery@Matrix_Spike_1) 3 decimal places Numeric Notation +~End +Note: +Acceptance Criteria: +Rsquared R2 of standard graph must be >= 0.980 0.98 3 decimal places Numeric Notation +ControlCV Control CV =< 25.000 25 3 decimal places Numeric Notation +StandardCV Standard CV =< 25.000 25 3 decimal places Numeric Notation +Sample_CV Sample CV =< 20.000 20 3 decimal places Numeric Notation +Spike_Recovery_Upper Spike Recovery for each sample <= 130.000 130 3 decimal places Numeric Notation +Spike_Recovery_Lower Spike Recovery for each sample >= 70.000 70 3 decimal places Numeric Notation +Known_Spike_Value1 Known Spike Value1 = 50.000 50 3 decimal places Numeric Notation +Known_Spike_Value2 Known Spike Value2 = 5.000 5 3 decimal places Numeric Notation +~End +Plate: Plate1 1.3 TimeFormat Endpoint Absorbance Reduced FALSE 1 2 450 650 1 12 96 1 8 + A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 B1 B2 B3 B4 B5 B6 B7 B8 B9 B10 B11 B12 C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 E1 E2 E3 E4 E5 E6 E7 E8 E9 E10 E11 E12 F1 F2 F3 F4 F5 F6 F7 F8 F9 F10 F11 F12 G1 G2 G3 G4 G5 G6 G7 G8 G9 G10 G11 G12 H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 + 1.8565999999999998 1.8385999999999998 0.2026 0.19879999999999998 0.51369999999999993 0.49760000000000004 0.5858 0.57490000000000008 0.21880000000000002 0.1998 -0.0001 0 0.91780000000000006 0.9146 2.0092000000000003 1.9141000000000001 0.98139999999999994 0.9896 0.21830000000000002 0.20320000000000002 0.1824 0.1622 0 0 0.3449 0.34149999999999997 0.97939999999999994 0.9804 0.73039999999999994 0.7215 0.2604 0.17250000000000001 0.14179999999999998 0.128 -0.0001 -0.0003 0.16670000000000002 0.157 0.8609 0.80609999999999993 0.4696 0.47680000000000006 0.18419999999999998 0.171 0.11880000000000002 0.1077 -0.0002 0 0.11019999999999999 0.11069999999999999 0.82790000000000008 0.8046 0.34390000000000004 0.36269999999999997 0.16360000000000002 0.1623 0.3756 0.34709999999999996 -0.0001 -0.0001 0.0869 0.091799999999999993 0.6441 0.70100000000000007 1.6042 1.6323 0.1485 0.1459 0.4508 0.41609999999999997 -0.0003 0 0.3804 0.37339999999999995 0.6429 0.6134 2.1105 2.1402 0.1525 0.1432 0.2658 0.2548 0 0 0.95110000000000006 0.9496 0.6059 0.6533 1.4622000000000002 1.4094 0.1288 0.124 0.0851 0.0834 -0.0002 -0.0001 +~End +Group: Control +Sample Wells Sample# Values Results MeanResults CVs CVresults +01 G1 1 0.380 13.494 13.331 1.313 Pass + G2 0.373 13.169 + +Group Column Formula Name Formula Precision Notation +1 Sample !SampleNames 2 decimal places Numeric +2 Wells !WellIDs 2 decimal places Numeric +3 Sample# Index 0 decimal places Numeric +4 Values !WellValues 3 decimal places Numeric +5 Results InterpX(Std@StandardCurve,Values) 3 decimal places Numeric +6 MeanResults Average(Results) 3 decimal places Numeric +7 CVs Cv(Values) 3 decimal places Numeric +8 CVresults If (CVs<=ControlCV@Notes1,"Pass","Fail") 3 decimal places Numeric + +Group Summaries + +~End +Group: Matrix_Spike_1 +Sample Wells Value R Result MeanResult CVs CvResult %SpikeRecovery +01 H1 0.951 41.958 41.917 0.1 Pass 83.834 + H2 0.950 41.876 + +Group Column Formula Name Formula Precision Notation +1 Sample !SampleNames 2 decimal places Numeric +2 Wells !WellIDs 2 decimal places Numeric +3 Value !WellValues 3 decimal places Numeric +4 R If (Value>=MinStd@Standards and Value<=MaxStd@Standards,"","R") 3 decimal places Numeric +5 Result InterpX(Std@StandardCurve,Value) 3 decimal places Numeric +6 MeanResult Average(Result) 3 decimal places Numeric +7 CVs Cv(Result) 1 decimal places Numeric +8 CvResult If (CVs<=Sample_CV@Notes1,"Pass","Fail") 3 decimal places Numeric +9 %SpikeRecovery MeanResult/Known_Spike_Value1@Notes1*100 3 decimal places Numeric + +Group Summaries +InRange R - Outside standard range 0 decimal places Numeric Notation +~End +Group: Matrix_Spike_2 +Sample Well Value R Result MeanResult CVs CVResult %SpikeRecovery +01 A3 0.203 5.292 5.204 2.387 Pass 104.081 + A4 0.199 5.116 + +Group Column Formula Name Formula Precision Notation +1 Sample !SampleNames 3 decimal places Numeric +2 Well !WellIDs 3 decimal places Numeric +3 Value !WellValues 3 decimal places Numeric +4 R If (Value@Matrix_Spike_1>=MinStd@Standards and Value@Matrix_Spike_1<=MaxStd@Standards,"","R") 3 decimal places Numeric +5 Result InterpX(Std@StandardCurve,Value) 3 decimal places Numeric +6 MeanResult Average(Result) 3 decimal places Numeric +7 CVs Cv(Result) 3 decimal places Numeric +8 CVResult If (CVs<=Sample_CV@Notes1,"Pass","Fail") 3 decimal places Numeric +9 %SpikeRecovery MeanResult/Known_Spike_Value2@Notes1*100 3 decimal places Numeric + +Group Summaries + +~End +Group: Standards +Sample Concentration ng/mL Wells Value MeanValue SD CVs CV_Result +01 100.000 A1 1.8566 1.848 0.0127 0.7 Pass + A2 1.8386 +02 40.000 B1 0.9178 0.916 0.0023 0.2 Pass + B2 0.9146 +03 12.000 C1 0.3449 0.343 0.0024 0.7 Pass + C2 0.3415 +04 3.000 D1 0.1667 0.162 0.0069 4.2 Pass + D2 0.1570 +05 1.000 E1 0.1102 0.110 0.0004 0.3 Pass + E2 0.1107 +06 0.000 F1 0.0869 0.089 0.0035 3.9 Pass + F2 0.0918 + +Group Column Formula Name Formula Precision Notation +1 Sample !SampleNames 2 decimal places Numeric +2 Concentration !SampleDescriptor 3 decimal places Numeric +3 Wells !WellIDs 2 decimal places Numeric +4 Value !WellValues 4 decimal places Numeric +5 MeanValue Average(Value) 3 decimal places Numeric +6 SD Stdev(Value) 4 decimal places Numeric +7 CVs Cv(Value) 1 decimal places Numeric +8 CV_Result If (CVs<=StandardCV@Notes1,"Pass","Fail") 3 decimal places Numeric + +Group Summaries +MinStd Smallest standard value: 0.089 Min(MeanValue) 3 decimal places Numeric Notation +MaxStd Largest standard value: 1.848 Max(MeanValue) 3 decimal places Numeric Notation + +~End +Group: Samples +Sample Wells Value R Result MeanResult SD CVs CVresult +01 B3 2.009 R 113.062 109.152 5.529 5.1 Pass + B4 1.914 R 105.243 +02 C3 0.979 43.500 43.527 0.039 0.1 Pass + C4 0.980 43.555 +03 D3 0.861 37.138 35.707 2.023 5.7 Pass + D4 0.806 34.277 +04 E3 0.828 35.409 34.804 0.855 2.5 Pass + E4 0.805 34.200 +05 F3 0.644 26.095 27.510 2.001 7.3 Pass + F4 0.701 28.925 +06 G3 0.643 26.035 25.311 1.025 4.0 Pass + G4 0.613 24.586 +07 H3 0.606 24.219 25.384 1.647 6.5 Pass + H4 0.653 26.549 +08 A5 0.514 19.769 19.385 0.542 2.8 Pass + A6 0.498 19.002 +09 B5 0.981 43.610 43.835 0.318 0.7 Pass + B6 0.990 44.060 +10 C5 0.730 30.405 30.180 0.318 1.1 Pass + C6 0.722 29.956 +11 D5 0.470 17.674 17.844 0.241 1.3 Pass + D6 0.477 18.015 +12 E5 0.344 11.802 12.237 0.616 5.0 Pass + E6 0.363 12.672 +13 F5 1.604 82.044 83.031 1.395 1.7 Pass + F6 1.632 84.018 +14 G5 2.111 R 121.803 123.127 1.873 1.5 Pass + G6 2.140 R 124.451 +15 H5 1.462 72.427 70.710 2.428 3.4 Pass + H6 1.409 68.994 +16 A7 0.586 23.240 22.976 0.374 1.6 Pass + A8 0.575 22.712 +17 B7 0.218 6.016 5.668 0.493 8.7 Pass + B8 0.203 5.320 +18 C7 0.260 7.954 5.925 2.869 48.4 Fail + C8 0.173 3.896 +19 D7 0.184 4.440 4.133 0.434 10.5 Pass + D8 0.171 3.826 +20 E7 0.164 3.480 3.450 0.043 1.2 Pass + E8 0.162 3.419 +21 F7 0.148 2.771 2.709 0.087 3.2 Pass + F8 0.146 2.648 +22 G7 0.152 2.959 2.740 0.311 11.3 Pass + G8 0.143 2.520 +23 H7 0.129 1.833 1.717 0.164 9.5 Pass + H8 0.124 1.601 +24 A9 0.219 6.039 5.601 0.620 11.1 Pass + A10 0.200 5.162 +25 B9 0.182 4.356 3.886 0.666 17.1 Pass + B10 0.162 3.415 +26 C9 0.142 2.454 2.124 0.466 22.0 Fail + C10 0.128 1.794 +27 D9 0.119 1.348 1.073 0.389 36.2 Fail + D10 0.108 0.798 +28 E9 0.376 13.271 12.610 0.934 7.4 Pass + E10 0.347 11.950 +29 F9 0.451 16.787 15.973 1.151 7.2 Pass + F10 0.416 15.159 +30 G9 0.266 8.202 7.949 0.358 4.5 Pass + G10 0.255 7.696 + +Group Column Formula Name Formula Precision Notation +1 Sample !SampleNames 2 decimal places Numeric +2 Wells !WellIDs 2 decimal places Numeric +3 Value !WellValues 3 decimal places Numeric +4 R If (Value>=MinStd@Standards and Value<=MaxStd@Standards,"","R") 3 decimal places Numeric +5 Result InterpX(Std@StandardCurve,Value) 3 decimal places Numeric +6 MeanResult Average(Result) 3 decimal places Numeric +7 SD Stdev(Result) 3 decimal places Numeric +8 CVs Cv(Result) 1 decimal places Numeric +9 CVresult If (CVs<=Sample_CV@Notes1,"Pass","Fail") 3 decimal places Numeric + +Group Summaries +InRange R - Outside standard range 0 decimal places Numeric Notation +~End +Original Filename: HCP for GB_JB 17JAN2025; Date Last Saved: 1/17/2025 12:13:53 PM