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MIChI Standard for Reporting Ultraviolet-Visible Absorption Spectrophotometry (main name)
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MIChI Standard for Reporting Ultraviolet-Visible Absorption Spectroscopy (alternative name)
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Level 1: Required Minimum information. Can be also identified by cardinality no less than 1
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Level 2: Recommended. Can be also identified by cardinality starting from 0
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Level 3: Optional.
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No.PropertyDefinitionExport FormatCardinalityHuman- Readable
Example
Machine- Readable
Example
Comment
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1Ultra-Violet-Visible Absorption
Spectrophotometry Assay
ultraviolet-visible spectrophotometry (CHMO:0000292)1
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1.1Ultra-Violet-Visible Absorption
Spectrophotometry Sample
A sample that has been investigated by a chemical
analysis by UV-Vis absorption spectrophotometry
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1.1.1Characterized Compound
and/or
link to sample preparation resource
A compound characterized as part of UV-Vis absorption Spectrophotometry sample using data acquired from an UV-Vis Absorption Sample analysis.
and/or
a link to the preparation steps of the UV-Vis Absorption sample.
- Molfile (EDAM:3815)
- ChEBI URL for a leaf from molecular entity (CHEBI:23367)
- Pubchem URL
- URL (EDAM:1052)
1-ncaffeine CHEBI:27732If the compound is known, reporting it
becomes mandatory. Repositories
implementing this MIChI must provide a
notice clarifying this to the users.
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1.1.1.1ConcentrationThe concentration of the Characterized Compound in the sample.A number with a unit that is a leaf from:
- molar based unit UO:1000062
- mass per unit volume based unit (UO:1000180)
- volume per unit volume UO:0000205
0-n0.5 molar0.5 UO:0000062It is mandatory for quantitative analysis.
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1.1.2UV-Vis SolventA solvent used to prepare the UV-Vis Absorption sample.ChEBI URL for a molecular entity that has the
role solvent (CHEBI:46787)
1-nWaterCHEBI:15377For solid UV-Vis, the solvent can be reported as none.
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1.1.2.1UV-Vis Solvent Volume/Volume RatioVolume/volume ratios (SNOMED:282380000) of UV-Vis Solvent
A number without unit1-n
Water: 90

CHEBI:15377: 90
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1.1.3Cell path lengthcell path length (AFR:0001997)A number with a unit that is a leaf from meter based unit (UO:1000008)110 mm10 UO:0000016
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Buffer
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Buffer Volume/Volume Ratio
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Buffer pH
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Cell materialquartz
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Cell manufacturer
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Cell Catalog Number
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1.2Acquisition Parameters Parameters used in the UV-Vis Absorption Spectrophotometry1
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1.2.1Sample Temperaturesample temperature (AFR:0002149)A number with a unit: kelvin (UO:0000012)1298.15 Kelvin298.15 UO:0000012
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1.2.2Start of wavelength range The shortest wavelength defined in the measurement scan, from which the spectrometer begins recording the absorbance of the sampleA number with a unit:
- Wavelength (λ) nanometer (UO:0000018)
- Frequency hertz based unit UO:1000106
- Wavenumber cm⁻¹ reciprocal of (RO:0015012) centimeter UO:0000015
0-1200 nm200 UO:0000018
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1.2.3End of wavelength range The longest wavelength defined in the measurement scan, at which the spectrometer stops recording the absorbance of the sample.A number with a unit:
- Wavelength (λ) nanometer (UO:0000018)
- Frequency hertz based unit UO:1000106
- Wavenumber cm⁻¹ reciprocal of (RO:0015012) centimeter UO:0000015
0-1400 nm400 UO:0000018
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1.2.4Data IntervalThe instrument setting determining the wavelength increment between consecutive data points collected during a spectral scan.A number with a unit:
- Wavelength (λ) nanometer (UO:0000018)
- Frequency hertz based unit UO:1000106
- Wavenumber cm⁻¹ reciprocal of (RO:0015012) centimeter UO:0000015
0-11 nm1 UO:0000018Please note that this is the user input, not the device's maxium possible resolution. It has a synonym: resolution.
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1.2.5Bandwidthdetection bandwidth (AFQ:0000198)A number with a unit:
- Wavelength (λ) nanometer (UO:0000018)
- Frequency hertz based unit UO:1000106
- Wavenumber cm⁻¹ reciprocal of (RO:0015012) centimeter UO:0000015
0-12 nm2 UO:0000018
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1.2.6Scan Rate The speed at which a UV-Vis spectrophotometer scans across a range of wavelengths when collecting spectral data.A number with a unit:rate unit (UO:0000280):
- Nanometer per second (nm/s)
- Frequency hertz based unit UO:1000106
- reciprocal centimeter per second cm^-1/s
0-1240 nm/min240 nm/min
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1.2.7UV-Vis Average Time (or Averaging Time)The duration over which the instrument collects and averages the signal for each wavelength point during a spectral scan.A number with a unit that is a leaf from time unit (UO:0000003)0-11 second1 UO:0000010
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1.2.8Beam ModeThe setup configuration of the instrument’s light path, impacting how the light interacts with the sample and reference.Free text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Single-Beam ModeSingle-Beam Mode
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1.2.9Number of averagesnumber of measurement averages (AFR:0001673)A number with a unit: average0-13 averages3 averages
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1.3Instrumentultraviolet–visible spectrometer (CHMO:0001803)0-1
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1.3.1Instrument ManufacturerDevice Manufacture (NCIT:C156625)Free text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Agilent TechnologiesAgilent Technologies
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1.3.2Instrument ModelInstrument Model (NCIT:C177610)Free text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Agilent Cary 60Agilent Cary 60
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1.3.3Light sourcelight source (OBI:0400065)Free text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-nDeuterium lampDeuterium lamp
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1.4Acquisition SoftwareSoftware related to the recording of spectra.0-1
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1.4.1Software namesoftware name (AFR:0002802)Free text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Cary WinUVCary WinUV
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1.4.2Software versionsoftware version (AFR:0001700)Float number (Major.Minor)0-15.35.3
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1.5Data Processing1
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1.5.1X axis LabelThe label of the X axis in the UV-Vis spectrum- Wavelength (λ): wavelength (quality) PATO:0001242
- Frequency: frequency AFR:0001732
- Wavenumber wavenumber AFR:0001592
1Wavelength (λ) Wavelength (λ)
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1.5.2X axis UnitThe unit of the X axis in the UV-Vis spectrum- Wavelength (λ): nanometer (UO:0000018)
- Frequency: hertz based unit (UO:1000106)
- Wavenumber : cm⁻¹
1nmUO:0000018
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1.5.3Y axis LabelThe label of the Y axis in the UV-Vis spectrum- Absorbance (A) AFQ:0000061/ Absorbance Units (AU) UO:0000269
- Molar absorption coefficient (ε)
- Log Absorbance (Log A)
- Intensity
1Molar absorption coefficient (ε)Molar absorption coefficient (ε)
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1.5.4Y axis UnitThe unit of the Y axis in the UV-Vis spectrum- Absorbance (A) / Absorbance Units (AU): null (dimensionless)
- Molar absorption coefficient (ε): L⋅mol−1⋅cm−1
- Log Absorbance (Log A): null
- Intensity: W/cm2
1L⋅mol−1⋅cm−1L⋅mol−1⋅cm−1
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1.5.5Baseline Correction AlgorithmThe name of the algorithm used for Baseline CorrectionFree text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Linear Baseline CorrectionLinear Baseline Correction
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1.5.5.1Baseline Correction parameterA parameter to a baseline correction function.Free text0-n
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1.5.6Smoothing Algorithm The name of the algorithm used for SmoothingFree text. CV in preparation
https://github.com/NFDI4Chem/workshops/issues/19
0-1Moving Average Moving Average
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1.5.6.1Smoothing parameterA parameter to a smoothing correction function.Free text0-n
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