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ChemConverter Profiles

Profile list

currently include in Repo

Ontologyavailabilityinternal namegeneric name &
description (1)		measurement technique: device and/or softwarefile formatdownload
Circular dichroism spectroscopyCDSCD MS Spectra data from txt, data: +, metadata: -
LCMSsolution; ref location: KIT CN, data: +, metadata: +		LCMS*.txtLink
Cyclic Voltammetry (CV)v0.8.0+CV GamryCV data from DTA, data: +, metadata: +
Gamry Interface Framework; ref location: KIT CN, data: +, metadata: +		CV: Gamry*.dtaLink
Cyclic Voltammetry (CV)v0.8.0+NovaCV data from txt, data: +, metadata: (+)
Metrohm Autolab Nova; ref location: Uni Aachen, data: +, metadata: (-)		CV: Metrohm NOVA*.csvLink
Cyclic Voltammetry (CV)v0.8.0+CV pssessionCV data from pssession, data: +, metadata: +
PalmSens PSTrace; ref location: IPB Leibniz, data: +, metadata: +		CV: PalmSens PSTrace*.pssessionLink
Dynamic light scattering (DLS)DLSDLS data from txt, data: +, metadata: -
---; ref location: ---, data: +, metadata: -		DLS*.txtLink
Mass spectrometryMS FinnigianMass spectrometry from txt, data: +, metadata: -
Finnigian MAT8230, ref location: ---, data: +, metadata: -		MS Finnigian MAT8230*.txtLink
Mass spectrometryMS xyMass spectrometry from general xy format, data: +, metadata: -
generic data table only; ref location: Uni Aachen, data: +, metadata: -		MS*.xyLink
Material testingTensile Test high TempTensile test data from txt, data: +, metadata: -
Inspect Table 50kN; ref location: Fraunhofer IWS, data: +, metadata: - ;
HighTemp		Inspect Table 50kN*.txtLink
Material testingTensile Test low TempTensile test data from txt, data: +, metadata: -
Inspect Table 50kN; ref location: Fraunhofer IWS, data: +, metadata: - ;
LowTemp		Inspect Table 50kN*.txtLink
Single-crystal X-ray DiffractionCIFcrystallographic metadata from cif, data: -, metadata: +
Stoe StadiVari diffractometer; ref location: KIT CN, data: +, metadata: +		Stoe StadiVari diffractometer*.cifLink
Sorption-Desorption MeasurementAIF(AIF) Sorption-Desorption Measurement from txt and aif, data: +, metadata: +
---; ref location: TU Dresden, data: +, metadata: +		raw2aif*.txtLink
UV-VISCary60 UV-VisUV-VIS data from csv, data: +, metadata: -
Cary 60; ref location: KIT CN, data: +, metadata: +		Agilent Cary 60 Spectrophotometer*.csvLink
UV-VISHoriba UV-VisUV-VIS data from txt, data: +, metadata: -
Horiba Duetta; ref location: KIT CN, data: +, metadata: +		Horiba Duetta*.txtLink
UV-VISJASCO UV-VisUV-VIS data from txt, data: +, metadata: -
JASCO V-570; ref location: KIT CN, data: +, metadata: +		JASCO Corp., V-570*.txtLink
UV-VISgeneric UV-VisUV-VIS data from general txt, data: +, metadata: -
generic data table only; ref location: ---, data: +, metadata: -		???*.txtLink
UV-VISSPECORD 50 -> single sampleUV-VIS data from csv, data: +, metadata: -
UV-VIS data from csv, data: +, metadata: -		UV/VIS: SPECORD 50*.csvLink
X-ray diffractionbrmlX-ray diffraction data from brml, data: +, metadata: -
???; ref location: ---, data: +, metadata: -		???*.txtLink
X-ray diffractionv1.5.0+xrd xyPXRD data from xy, data: +, metadata: +
???; ref location: JGU Mainz, data: +, metadata: +		???*.xyLink

(1) The generic name follows the convention that the names should give us a hind about what the profile does (marked by a +) and the description should tell us i.a. what the file could provide.
(+) In this case, the file itself does not provide Metadata but some could be calculated by the Reader.

Profile: Tensile test HighTemp​

Material testing, Inspect Table 50kN; reference location: Fraunhofer IWS, with data conversion, without metadata extraction ;HighTemp

  • File Format: *.txt
  • Data Type: Cyclic Voltammetry
  • Data Class: XYPOINTS
  • X Unit: 2Theta, X Value: Table#0, Column#3
  • Y Unit: Intensity, Y Value: Table#0, Column#4*1e6
  • Profile id: c9d63af9-2ce7-425e-895c-c04b8497c26c
  • Reader: CSVReader
  • Download Link

Profile: Tensile test LowTemp​

Material testing, Inspect Table 50kN; reference location: Fraunhofer IWS, with data conversion, without metadata extraction ;LowTemp

  • File Format: *.txt
  • Data Type: Cyclic Voltammetry
  • Data Class: XYPOINTS
  • X Unit: 2Theta, X Value: Table#0, Column#5
  • Y Unit: Intensity, Y Value: Table#0, Column#3*1e6
  • Profile id: 6d344bc4-c4fb-4306-9d56-1e754e7e0590
  • Reader: CSVReader
  • Download Link

Profile: Mass spectrometry from general xy format​

generic data table only; ref location: Uni Aachen, with data conversion, without metadata extraction

  • File Format: *.xy
  • Data Type: Mass Spectrum
  • Data Class: XYPOINTS
  • X Unit: m/z, X Value: Table#0, Column#0
  • Y Unit: Intensity, Y Value: Table#0, Column#1
  • Profile id: 5b206281-49f6-437b-99ca-c64a621eb903
  • Download Link

Profile: Dynamic light scattering (DLS)​

Dynamic light scattering (DLS) data from txt, with data conversion, without metadata extraction

  • File Format: *.txt
  • Data Type: UV-VIS
  • Data Class: XYPOINTS
  • X Unit: NANOMETERS, X Value: Table#0, Column#0
  • Y Unit: Intensity, Y Value: Table#0, Column#2
  • Profile id: d9be2928-fd8e-4abe-bbe0-3e419330875f
  • Download Link

Profile: Sorption-Desorption Measurement (AIF) from txt​

Sorption-Desorption Measurement (AIF) from txt and aif, with data conversion, with metadata extraction

  • File Format: *.txt or *.aif
  • Data Type: Sorption-Desorption Measurement
  • Data Class: XYPOINTS
  • X Unit: p/p0, X Value: Table#0, Column#0 : Table#0, Column#1
  • Y Unit: ml/g, Y Value: Table#0, Column#2
  • Profile id: 5cb879d1-2b3f-4778-8e06-1a198500c8db
  • Download Link

Profile: UV-VIS Spectrum from txt​

UV VIS from txt, with data conversion, without metadata extraction

  • File Format: *.txt
  • Data Type: UV-VIS
  • Data Class: XYPOINTS
  • X Unit: wavelength (nm), X Value: Table#0, Column#0
  • Y Unit: ABSORBANCE, Y Value: Table#0, Column#1
  • Profile id: 2a913039-c48d-4fd5-9fbb-706733e53f76
  • Download Link

Profile: Fluorescence Emission Spectrum from txt​

Fluorescence emission spectrum from txt, with data conversion, with metadata extraction

  • File Format: *.txt
  • Data Type: Emissions
  • Data Class: XYPOINTS
  • X Unit: wavelength (nm), X Value: Table#0, Column#0
  • Y Unit: Intensity, Y Value: Table#0, Column#1
  • Profile id: cddfe1ff-ef5a-44fb-a6ba-443a870c7a27
  • Download Link

Profile: Dynamic Light Scattering (DLS) Intensity Distributions from xlsx​

DLS intensity distributions from xlsx, with data conversion, without metadata extraction

  • File Format: *.xlsx
  • Data Type: DLS intensity
  • Data Class: XYPOINTS
  • X Unit: Hydrodynamic diameter (nm), X Value: Table#0, Column#0
  • Y Unit: relative intensity (%), Y Value: Table#0, Column#1
  • Profile id: e10cd71e-b44f-4493-b7ad-ca231ccd324f
  • Download Link

Profile: Dynamic Light Scattering (DLS) Autocorrelation Function (ACF) Graphs from xlsx​

ACF graphs from xlsx, with data conversion, without metadata extraction

  • File Format: *.xlsx
  • Data Type: DLS ACF
  • Data Class: XYPOINTS
  • X Unit: Lag time (microseconds), X Value: Table#0, Column#0
  • Y Unit: ACF (a.u.), Y Value: Table#0, Column#1
  • Profile id: fbbe088a-b688-4609-8c00-086a149f61ba
  • Download Link

Profile: Size Exclusion Chromatography (SEC) with one Detector Output​

Size Exclusion Chromatography (SEC) with one Detector Output; reference location: KIT, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0Size Exclusion ChromatographyXYPOINTSMILLILITERSTable#6, Column#0ARBITRARY UNITSTable#6, Column#2
Output table 1Size Exclusion ChromatographyXYPOINTSG/MOLTable#7, Column#0ARBITRARY UNITSTable#7, Column#1
  • File Format: *.txt
  • Profile id: 44f5bfbb-ae1f-4da0-b43b-0d33b649c24a
  • Reader: SecReader
  • Download Link

Profile: Size Exclusion Chromatography (SEC) with two Detector Outputs​

Size Exclusion Chromatography (SEC) with two Detector Outputs; reference location: KIT, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0Size Exclusion ChromatographyXYPOINTSG/MOLTable#7, Column#0ARBITRARY UNITSTable#7, Column#1
Output table 1Size Exclusion ChromatographyXYPOINTSG/MOLTable#7, Column#0ARBITRARY UNITSTable#7, Column#3
Output table 2Size Exclusion ChromatographyXYPOINTSMILLILITERSTable#6, Column#0ARBITRARY UNITSTable#6, Column#2
Output table 3Size Exclusion ChromatographyXYPOINTSMILLILITERSTable#6, Column#0ARBITRARY UNITSTable#6, Column#4
  • File Format: *.txt
  • Profile id: 71883827-4472-48d8-becf-64ea89324f3e
  • Reader: SecReader
  • Download Link

Profile: INFRARED SPECTRUM (IR)​

INFRARED SPECTRUM (IR); reference location: KIT, with data conversion, without metadata extraction

  • File Format: *.dpt
  • Data Type: INFRARED SPECTRUM
  • Data Class: XYPOINTS
  • X Unit: 1/CM, X Value: Table#0, Column#0
  • Y Unit: TRANSMITTANCE, Y Value: Table#0, Column#1
  • Profile id: 0cd6596c-83d2-49ab-a982-1dfec98d16ba
  • Reader: CSVReader
  • Download Link

Profile: TGA (Thermogravimetric Analysis) without Isothermal​

TGA (Thermogravimetric Analysis) without Isothermal; basic one, only the ramp; reference location: KIT, with data conversion, with metadata extraction

  • File Format: *.xls
  • Data Type: THERMOGRAVIMETRIC ANALYSIS
  • Data Class: XYPOINTS
  • X Unit: DEGREE CELSIUS, X Value: Table#1, Column#1
  • Y Unit: Weight %, Y Value: Table#1, Column#3
  • Profile id: fb63e718-3842-4d45-9b39-84a53b27e483
  • Reader: OldExcelReader
  • Download Link

Profile: TGA (Thermogravimetric Analysis)​

TGA (Thermogravimetric Analysis) with Isothermal; reference location: KIT, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#2, Column#1Weight %Table#2, Column#3
Output table 1THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#1, Column#1Weight %Table#1, Column#3
  • File Format: *.xls
  • Profile id: e7a4ee04-cdf6-4da6-a82c-ba6909af6cee
  • Reader: OldExcelReader
  • Download Link

Profile: TGA 3 (Thermogravimetric Analysis)​

TGA (Thermogravimetric Analysis) with one Ramp and one Isothermal; reference location: KIT Campus North, with data conversion, with metadata extraction compatible with latest Metadata Schema

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#1, Column#1Weight %Table#1, Column#3
Output table 1THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#2, Column#1Weight %Table#2, Column#3
  • File Format: *.xls
  • Profile id: 71c30d37-6822-45c7-ac65-0386277a3327
  • Reader: OldExcelReader
  • Download Link

Profile: TGA (Thermogravimetric Analysis) with derivative​

TGA (Thermogravimetric Analysis) with Isothermal and Derivative; reference location: KIT, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#2, Column#1Weight %Table#2, Column#3
Output table 1THERMOGRAVIMETRIC ANALYSISXYPOINTSDEGREE CELSIUSTable#2, Column#1DERIVATIVE WEIGHT (%/°C)Table#2, Column#4
  • File Format: *.xls
  • Profile id: e845bc85-07b9-4e21-8bdf-4daa4a74fa15
  • Reader: OldExcelReader
  • Download Link

Profile: DSC (Differential Scanning Calorimetry) with Time​

DSC (Differential Scanning Calorimetry) with time; reference location: KIT, with data conversion, with metadata extraction

  • File Format: *.csv
  • Data Type: THERMOGRAVIMETRIC ANALYSIS
  • Data Class: XYPOINTS
  • X Unit: DEGREE CELSIUS, X Value: Table#0, Column#0
  • Y Unit: W/g, Y Value: Table#0, Column#2
  • Profile id: 0d04f3c5-43d4-408a-85ef-34b33975020a
  • Reader: CSVReader
  • Download Link

Profile: DSC (Differential Scanning Calorimetry) without Time​

DSC (Differential Scanning Calorimetry) without time; reference location: KIT, with data conversion, with metadata extraction

  • File Format: *.csv
  • Data Type: THERMOGRAVIMETRIC ANALYSIS
  • Data Class: XYPOINTS
  • X Unit: DEGREE CELSIUS, X Value: Table#0, Column#0
  • Y Unit: W/g, Y Value: Table#0, Column#1
  • Profile id: 3e2fb90e-b6b6-4152-9182-ed8e203a58b5
  • Reader: CSVReader
  • Download Link

Profile: DSC (Differential Scanning Calorimetry) data from xls with 3 ramps, data: +, metadata: +​

"---; ref location: ---, data: +, metadata: + Heating up and cooling down phases are ignored because of no recorded Heat Flow

  • File Format: *.xls
  • Data Type: THERMOGRAVIMETRIC ANALYSIS
  • Data Class: XYPOINTS
  • X Unit: DEGREE CELSIUS, X Value: Table#3&4&5, Column#1
  • Y Unit: W/g, Y Value: Table#3&4&5, Column#2
  • Profile id: 13d412b7-e462-44bd-a642-56a22e558640.json
  • Reader: OldExcelReader
  • Download Link

Profile: UV-VIS Spectrum from txt​

UV/VIS from txt; reference location: KIT, Campus West, with data conversion, with metadata extraction

  • File Format: *.txt
  • Data Type: UV-VIS
  • Data Class: XYPOINTS
  • X Unit: %, X Value: Table#0, Column#0
  • Y Unit: ABSORBANCE, Y Value: Table#0, Column#1
  • Profile id: c7e3130f-6c23-432a-a886-a82d11632da2
  • Reader: CSVReader
  • Download Link

Profile: UV-VIS Spectrum from csv file​

UV/VIS with multicolumn (4) file with no header, csv file with 4 spectra in one file; reference location: KIT, Campus South, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0UV-VISXYPOINTSwavelength (nm)Table#0, Column#0ABSORBANCETable#0, Column#1
Output table 1UV-VISXYPOINTSwavelength (nm)Table#0, Column#2ABSORBANCETable#0, Column#3
Output table 2UV-VISXYPOINTSwavelength (nm)Table#0, Column#4ABSORBANCETable#0, Column#5
Output table 3UV-VISXYPOINTSwavelength (nm)Table#0, Column#6ABSORBANCETable#0, Column#7
  • File Format: *.csv
  • Data Type: UV-VIS
  • Profile id: d8e6bf8f-6de1-4743-9513-04cbd0c6c712
  • Reader: CSVReader
  • Download Link

Profile: UV-VIS Spectrum from XLSX file​

UV VIS with multicolumn (2) XLSX file with header at the end, with data conversion, with metadata extraction

Output TablesData TypeData ClassX UnitX ValueY UnitY Value
Output table 0UV-VISXYPOINTSwavelength (nm)Table#0, Column#0ABSORBANCETable#0, Column#1
Output table 1UV-VISXYPOINTSwavelength (nm)Table#0, Column#2ABSORBANCETable#0, Column#3
  • File Format: *.xlsx
  • Profile id: 15400217-b730-47db-9d5c-a300bce7ae95
  • Reader: ExcelReader
  • Download Link

Profile: UV-VIS Spectrum from csv​

UV/VIS from csv; reference location: KIT, Campus South, with data conversion, without metadata extraction

Content must be "Typ;Messung" at header line 2 and "Notiz" as headline for Column#0! Info is from the SPECORD 50 device. Otherwise please reach out to us or change it in the profile settings in your own (ELN) instance.

  • File Format: *.csv
  • Data Type: UV-VIS
  • Data Class: XYPOINTS
  • X Unit: wavelength (nm), X Value: Table#0, Column#0
  • Y Unit: ABSORBANCE, Y Value: Table#0, Column#1
  • Profile id: 688305e6-c11c-481e-b66b-1bd78634e8fe
  • Reader: CSVReader
  • Download Link

Profile: XRD from xy​

(P)XRD from xy; reference location: JGU Mainz, with data conversion, with metadata extraction

Header (first line) must contain: 'Id: "XXXX" Comment: "XXXX" Operator: "Max Mustermann" Anode: "XX" Scantype: "XX TwoTheta XX" TimePerStep: "ddd" TwoTheta is essential! XX could be your string values. ddd could be any digit in seconds. Otherwise please reach out to us or change it in the profile settings in your own (ELN) instance.

  • File Format: *.xy
  • Data Type: X-RAY DIFFRACTION
  • Data Class: XYPOINTS
  • X Unit: 2Theta, X Value: Table#0, Column#0
  • Y Unit: relative intensity (%), Y Value: Table#0, Column#1
  • Profile id: 17f10ac7-2c64-4df8-aa12-c51b4b30e7a2
  • Reader: AsciiReader
  • Download Link