Spectroscopy and Chemometrics News Weekly #27, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #27, 2020Spettroscopia e Chemiometria Weekly News #27, 2020

NIR Calibration-Model Services

Develop & Optimize NIR chemometric methods for Chemical Analysis with ease LINK

Do you want better NIRS prediction results? Use your Near-Infrared Analysis data and do recalibration adjustment LINK

Rapid development of robust quantitative methods by near-infrared spectroscopy for foodsafety precisionAg pauto LINK

Spectroscopy and Chemometrics News Weekly 26, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 26, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 26, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week's NIR news Weekly is sponsored by Your-Company-Name-Here - NIR-spectrometers. Check out their product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

"Visible and Near-Infrared (VNIR) Hyperspectral Payload Electronics" LINK

"A Real-Time Rapid Analysis Method for the Determination of Total Alkaloids in Fritillariae Cirrhosae Bulbus by AOTF-NIR" LINK

"Feasibility of NIR spectroscopy detection of moisture content in coco-peat substrate based on the optimization characteristic variables" LINK

"Location, year, and tree age impact NIR-based postharvest prediction of dry matter concentration for 58 apple accessions" LINK

"FT-NIRS Coupled with PLS Regression as a Complement to HPLC Routine Analysis of Caffeine in Tea Samples." LINK

"The past, present, and prospective on UV-VIS-NIR skin photonics and spectroscopy-a wavelength guide." LINK

"Vibrational coupling to hydration shell–Mechanism to performance enhancement of qualitative analysis in NIR spectroscopy of carbohydrates in aqueous environment" LINK

"Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system" LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Deflected Talbot mediated overtone spectroscopy in near-infrared as a label-free sensor on a chip." LINK

"Discrimination of Tetrastigma hemsleyanum according to geographical origin by near-infrared spectroscopy combined with a deep learning approach." LINK

"Prediction of qualitative characteristics of sunflower husked seed by near infrared spectroscopy." LINK

"Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy" LINK

"Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy" LINK

"Detection of Three-component Adulteration in Camellia Oleifera Abel Seed Oil by Near Infrared Spectroscopy" LINK

"Interactions of Glycerol, Diglycerol, and Water Studied Using Attenuated Total Reflection Infrared Spectroscopy" LINK

"Feasibility of a portable, low-cost near-infrared spectrophotometer for the quality screening of omega-3 dietary supplements." omega3 LINK

"Fast Detection Method of Antarctic Krill Meat Quality Based on Near Infrared Spectroscopy" LINK

"Determination of pectin content in orange peels by Near Infrared Hyperspectral Imaging" LINK




Raman Spectroscopy

"Raman spectroscopic signatures of carotenoids and polyenes enable label-free visualization of microbial distributions within pink biofilms" LINK




Hyperspectral Imaging (HSI)

"HYPERSPECTRAL IMAGE CLASSIFICATION BASED ON INTELLIGENT OPTIMIZATION FEATURE SELECTION" LINK

"Discriminative Reconstruction for Hyperspectral Anomaly Detection With Spectral Learning" LINK

"Study on quality distribution characteristics of jujube canopy based on multi-angle hyperspectral polarization" LINK

"Classification of common recyclable garbage based on hyperspectral imaging and deep learning" LINK

"Based on hyperspectral polarization to build the quantitative remote sensing model of jujube in Southern Xinjiang" LINK




Chemometrics and Machine Learning

"Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids" LINK

"Application of chemometrics to prediction of some wheat quality factors by near‐infrared spectroscopy (NIRS)" LINK

"Optimization and comparison of models for prediction of soluble solids content in apple by online Vis/NIR transmission coupled with diameter correction method" LINK

"Simultaneous determination of goat milk adulteration with cow milk and their fat and protein contents using NIR spectroscopy and PLS algorithms" LINK




Research on Spectroscopy

"SPECTROSCOPY AS A RAPID METHOD FOR DETECTING PAPRIKA POWDER ADULTERATION" LINK




Environment NIR-Spectroscopy Application

"National-Scale Forest Soil Carbon Characterizing Using Reflectance Spectroscopy" LINK




Agriculture NIR-Spectroscopy Usage

"Surgical spectral imaging" LINK

"Effect on Splanchnic Oxygenation of Breast Milk, Fortified Breast Milk, and Formula Milk In Preterm Infants" LINK

"Hyperspectral Imaging as a Potential Online Detection Method of Microplastics" LINK

"Evaluation of partial least-squares regression with multivariate analytical figures of merit for determination of 10 pesticides in milk" LINK

"Remote Sensing, Vol. 12, Pages 1308: Machine Learning Based On-Line Prediction of Soil Organic Carbon after Removal of Soil Moisture Effect" LINK

"Detection of Nutrition and Toxic Elements in Pakistani Pepper Powders Using Laser Induced Breakdown Spectroscopy" LINK

"Effect on splanchnic oxygenation of breast milk, fortified breast milk, and formula milk in preterm infants." LINK




Forestry and Wood Industry NIR Usage

"Linear Discriminant Analysis of spectral measurements for discrimination between healthy and diseased trees of Olea europaea L. artificially infected by Fomitiporia …" LINK




Food & Feed Industry NIR Usage

"Mid-infrared spectroscopic analysis of raw milk to predict the blood nonesterified fatty acid concentrations in dairy cows" | |(20)30351-9/fulltext LINK

"Visualization accuracy improvement of spectral quantitative analysis for meat adulteration using Gaussian distribution of regression coefficients in hyperspectral …" LINK




Other

"Machine vision detection of pests, diseases, and weeds: A review" LINK





.

NIR Calibration-Model Services

Develop & Optimize NIR chemometric methods for Chemical Analysis with ease LINK

Do you want better NIRS prediction results? Use your Near-Infrared Analysis data and do recalibration adjustment LINK

Rapid development of robust quantitative methods by near-infrared spectroscopy for foodsafety precisionAg pauto LINK

Spectroscopy and Chemometrics News Weekly 26, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 26, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 26, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week's NIR news Weekly is sponsored by Your-Company-Name-Here - NIR-spectrometers. Check out their product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

"Visible and Near-Infrared (VNIR) Hyperspectral Payload Electronics" LINK

"A Real-Time Rapid Analysis Method for the Determination of Total Alkaloids in Fritillariae Cirrhosae Bulbus by AOTF-NIR" LINK

"Feasibility of NIR spectroscopy detection of moisture content in coco-peat substrate based on the optimization characteristic variables" LINK

"Location, year, and tree age impact NIR-based postharvest prediction of dry matter concentration for 58 apple accessions" LINK

"FT-NIRS Coupled with PLS Regression as a Complement to HPLC Routine Analysis of Caffeine in Tea Samples." LINK

"The past, present, and prospective on UV-VIS-NIR skin photonics and spectroscopy-a wavelength guide." LINK

"Vibrational coupling to hydration shell–Mechanism to performance enhancement of qualitative analysis in NIR spectroscopy of carbohydrates in aqueous environment" LINK

"Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system" LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Deflected Talbot mediated overtone spectroscopy in near-infrared as a label-free sensor on a chip." LINK

"Discrimination of Tetrastigma hemsleyanum according to geographical origin by near-infrared spectroscopy combined with a deep learning approach." LINK

"Prediction of qualitative characteristics of sunflower husked seed by near infrared spectroscopy." LINK

"Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy" LINK

"Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy" LINK

"Detection of Three-component Adulteration in Camellia Oleifera Abel Seed Oil by Near Infrared Spectroscopy" LINK

"Interactions of Glycerol, Diglycerol, and Water Studied Using Attenuated Total Reflection Infrared Spectroscopy" LINK

"Feasibility of a portable, low-cost near-infrared spectrophotometer for the quality screening of omega-3 dietary supplements." omega3 LINK

"Fast Detection Method of Antarctic Krill Meat Quality Based on Near Infrared Spectroscopy" LINK

"Determination of pectin content in orange peels by Near Infrared Hyperspectral Imaging" LINK




Raman Spectroscopy

"Raman spectroscopic signatures of carotenoids and polyenes enable label-free visualization of microbial distributions within pink biofilms" LINK




Hyperspectral Imaging (HSI)

"HYPERSPECTRAL IMAGE CLASSIFICATION BASED ON INTELLIGENT OPTIMIZATION FEATURE SELECTION" LINK

"Discriminative Reconstruction for Hyperspectral Anomaly Detection With Spectral Learning" LINK

"Study on quality distribution characteristics of jujube canopy based on multi-angle hyperspectral polarization" LINK

"Classification of common recyclable garbage based on hyperspectral imaging and deep learning" LINK

"Based on hyperspectral polarization to build the quantitative remote sensing model of jujube in Southern Xinjiang" LINK




Chemometrics and Machine Learning

"Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids" LINK

"Application of chemometrics to prediction of some wheat quality factors by near‐infrared spectroscopy (NIRS)" LINK

"Optimization and comparison of models for prediction of soluble solids content in apple by online Vis/NIR transmission coupled with diameter correction method" LINK

"Simultaneous determination of goat milk adulteration with cow milk and their fat and protein contents using NIR spectroscopy and PLS algorithms" LINK




Research on Spectroscopy

"SPECTROSCOPY AS A RAPID METHOD FOR DETECTING PAPRIKA POWDER ADULTERATION" LINK




Environment NIR-Spectroscopy Application

"National-Scale Forest Soil Carbon Characterizing Using Reflectance Spectroscopy" LINK




Agriculture NIR-Spectroscopy Usage

"Surgical spectral imaging" LINK

"Effect on Splanchnic Oxygenation of Breast Milk, Fortified Breast Milk, and Formula Milk In Preterm Infants" LINK

"Hyperspectral Imaging as a Potential Online Detection Method of Microplastics" LINK

"Evaluation of partial least-squares regression with multivariate analytical figures of merit for determination of 10 pesticides in milk" LINK

"Remote Sensing, Vol. 12, Pages 1308: Machine Learning Based On-Line Prediction of Soil Organic Carbon after Removal of Soil Moisture Effect" LINK

"Detection of Nutrition and Toxic Elements in Pakistani Pepper Powders Using Laser Induced Breakdown Spectroscopy" LINK

"Effect on splanchnic oxygenation of breast milk, fortified breast milk, and formula milk in preterm infants." LINK




Forestry and Wood Industry NIR Usage

"Linear Discriminant Analysis of spectral measurements for discrimination between healthy and diseased trees of Olea europaea L. artificially infected by Fomitiporia …" LINK




Food & Feed Industry NIR Usage

"Mid-infrared spectroscopic analysis of raw milk to predict the blood nonesterified fatty acid concentrations in dairy cows" | |(20)30351-9/fulltext LINK

"Visualization accuracy improvement of spectral quantitative analysis for meat adulteration using Gaussian distribution of regression coefficients in hyperspectral …" LINK




Other

"Machine vision detection of pests, diseases, and weeds: A review" LINK





.

NIR Calibration-Model Services

Develop & Optimize NIR chemometric methods for Chemical Analysis with ease LINK

Do you want better NIRS prediction results? Use your Near-Infrared Analysis data and do recalibration adjustment LINK

Rapid development of robust quantitative methods by near-infrared spectroscopy for foodsafety precisionAg pauto LINK

Spectroscopy and Chemometrics News Weekly 26, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 26, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 26, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week's NIR news Weekly is sponsored by Your-Company-Name-Here - NIR-spectrometers. Check out their product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

"Visible and Near-Infrared (VNIR) Hyperspectral Payload Electronics" LINK

"A Real-Time Rapid Analysis Method for the Determination of Total Alkaloids in Fritillariae Cirrhosae Bulbus by AOTF-NIR" LINK

"Feasibility of NIR spectroscopy detection of moisture content in coco-peat substrate based on the optimization characteristic variables" LINK

"Location, year, and tree age impact NIR-based postharvest prediction of dry matter concentration for 58 apple accessions" LINK

"FT-NIRS Coupled with PLS Regression as a Complement to HPLC Routine Analysis of Caffeine in Tea Samples." LINK

"The past, present, and prospective on UV-VIS-NIR skin photonics and spectroscopy-a wavelength guide." LINK

"Vibrational coupling to hydration shell–Mechanism to performance enhancement of qualitative analysis in NIR spectroscopy of carbohydrates in aqueous environment" LINK

"Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system" LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Deflected Talbot mediated overtone spectroscopy in near-infrared as a label-free sensor on a chip." LINK

"Discrimination of Tetrastigma hemsleyanum according to geographical origin by near-infrared spectroscopy combined with a deep learning approach." LINK

"Prediction of qualitative characteristics of sunflower husked seed by near infrared spectroscopy." LINK

"Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy" LINK

"Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy" LINK

"Detection of Three-component Adulteration in Camellia Oleifera Abel Seed Oil by Near Infrared Spectroscopy" LINK

"Interactions of Glycerol, Diglycerol, and Water Studied Using Attenuated Total Reflection Infrared Spectroscopy" LINK

"Feasibility of a portable, low-cost near-infrared spectrophotometer for the quality screening of omega-3 dietary supplements." omega3 LINK

"Fast Detection Method of Antarctic Krill Meat Quality Based on Near Infrared Spectroscopy" LINK

"Determination of pectin content in orange peels by Near Infrared Hyperspectral Imaging" LINK




Raman Spectroscopy

"Raman spectroscopic signatures of carotenoids and polyenes enable label-free visualization of microbial distributions within pink biofilms" LINK




Hyperspectral Imaging (HSI)

"HYPERSPECTRAL IMAGE CLASSIFICATION BASED ON INTELLIGENT OPTIMIZATION FEATURE SELECTION" LINK

"Discriminative Reconstruction for Hyperspectral Anomaly Detection With Spectral Learning" LINK

"Study on quality distribution characteristics of jujube canopy based on multi-angle hyperspectral polarization" LINK

"Classification of common recyclable garbage based on hyperspectral imaging and deep learning" LINK

"Based on hyperspectral polarization to build the quantitative remote sensing model of jujube in Southern Xinjiang" LINK




Chemometrics and Machine Learning

"Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids" LINK

"Application of chemometrics to prediction of some wheat quality factors by near‐infrared spectroscopy (NIRS)" LINK

"Optimization and comparison of models for prediction of soluble solids content in apple by online Vis/NIR transmission coupled with diameter correction method" LINK

"Simultaneous determination of goat milk adulteration with cow milk and their fat and protein contents using NIR spectroscopy and PLS algorithms" LINK




Research on Spectroscopy

"SPECTROSCOPY AS A RAPID METHOD FOR DETECTING PAPRIKA POWDER ADULTERATION" LINK




Environment NIR-Spectroscopy Application

"National-Scale Forest Soil Carbon Characterizing Using Reflectance Spectroscopy" LINK




Agriculture NIR-Spectroscopy Usage

"Surgical spectral imaging" LINK

"Effect on Splanchnic Oxygenation of Breast Milk, Fortified Breast Milk, and Formula Milk In Preterm Infants" LINK

"Hyperspectral Imaging as a Potential Online Detection Method of Microplastics" LINK

"Evaluation of partial least-squares regression with multivariate analytical figures of merit for determination of 10 pesticides in milk" LINK

"Remote Sensing, Vol. 12, Pages 1308: Machine Learning Based On-Line Prediction of Soil Organic Carbon after Removal of Soil Moisture Effect" LINK

"Detection of Nutrition and Toxic Elements in Pakistani Pepper Powders Using Laser Induced Breakdown Spectroscopy" LINK

"Effect on splanchnic oxygenation of breast milk, fortified breast milk, and formula milk in preterm infants." LINK




Forestry and Wood Industry NIR Usage

"Linear Discriminant Analysis of spectral measurements for discrimination between healthy and diseased trees of Olea europaea L. artificially infected by Fomitiporia …" LINK




Food & Feed Industry NIR Usage

"Mid-infrared spectroscopic analysis of raw milk to predict the blood nonesterified fatty acid concentrations in dairy cows" | |(20)30351-9/fulltext LINK

"Visualization accuracy improvement of spectral quantitative analysis for meat adulteration using Gaussian distribution of regression coefficients in hyperspectral …" LINK




Other

"Machine vision detection of pests, diseases, and weeds: A review" LINK





.

What is JCAMP-DX ?Was ist JCAMP-DX ?Cos’è JCAMP-DX?

New: the free NIR-Predictor software supports many other native and simple text formats like CSV, please see supported data file formats.


JCAMP-DX is a Electronic Data Standards for long-term storage and transfer of chemometric information. The standard is development by the International Union of Pure and Applied Chemistry (IUPAC).

JCAMP-DX is an abreviation for the Joint Committee on Atomic and Molecular Physical data - Data eXchange.

It is an human readable file format that is used to store near infrared spectrometry data (and others like Raman, UV, NMR, mass, x-ray, chromatograms, thermograms) and related chemical and physical information and is used since the late 80s.

Almost all NIR-software packages can export the spectra including the reference values as JCAMP-DX. A single file can contain multiple spectra and reference values. A JCAMP file name looks like "sample.dx", "sample.jdx" or "sample.jcm".

For a software tool to predict JCAMP spectra, see NIR-Predictor JCAMP.
For a software tool to anonymize your JCAMP data, see JCAMP-Anonymizer Software

All data are stored as labeled fields of variable length using printable ASCII characters. Such files can be loaded in an text editor to check the content:


##TITLE= Indene (FILE: AFIR2.DX)
$$ FILE AFIR2.DX ( derived from TFIR2.DX)
$$ ABSORBANCE
$$ FIXED FORM
$$ INCREASING ABSCISSA
$$ RATIONAL ABSCISSA SPACING
##JCAMP-DX= 4.24 $$ Encoded by INTTODX 1.04 (RS McDonald)
##DATA TYPE= INFRARED SPECTRUM
##ORIGIN= JCAMP-DX Test Disk 1.04
R.S.McDonald, 9 Woodside Dr., Burnt Hills, NY 12027, 518-399-5145
##OWNER= Public Domain
##RESOLUTION= 2.0
##DELTAX=1.00000000
##XUNITS= 1/CM
##YUNITS= ABSORBANCE
##XFACTOR= 1.000000000
##YFACTOR= 0.000100000
##FIRSTX= 400.000
##LASTX= 4.000E+03
##NPOINTS= 3601
##FIRSTY= 3.487E-1
##XYDATA= (X++(Y..Y))
400 3487 3355 3264 3198 3153 3143 3182 3298 3520 3845 4262
411 4783 5449 6304 7383 8684 10209 12041 14123 16003 16162 14191
422 11791 9674 7943 6540 5406 4528 3874 3397 3045 2780 2584
433 2446 2354 2290 2246 2212 2187 2165 2135 2087 2022 1945
444 1865 1786 1713 1649 1596 1550 1512 1478 1448 1422 1401
:

The standard can be downloaded here: "JCAMP-DX: A Standard Form for the Exchange of Infrared Spectra in Computer Readable Form", ROBERT S. McDONALD and PAUL A. WILKS, JR., Appl. Spectrosc. 42(1), pp151-162, 1988

Neu: die kostenlose NIR-Predictor-Software unterstützt viele andere native und einfache Textformate wie CSV, siehe unterstützte Dateiformate.


JCAMP-DX ist ein elektronischer Daten Standard für die langfristige Speicherung und Übertragung von chemometrischen Informationen. Der Standard ist die Entwicklung von der International Union of Pure and Applied Chemistry (IUPAC)

JCAMP-DX ist eine Abkürzung für Joint Committee on Atomic and Molecular Physical data - Data eXchange.

Es ist ein von Menschen lesbares Dateiformat, das Nah-Infrarot-Spektrometrie Daten (und andere wie Raman, UV, NMR, Massen, Röntgen, Chromatogramme, Thermogramme) und zugehörige chemische und physikalische Informationen speichert und wird seit den späten 80er Jahren verwendet.

Fast alle NIR-Software-Pakete können die Spektren einschließlich der Referenzwerte als JCAMP-DX exportieren. Eine einzelne Datei kann mehrere Spektren und Referenzwerte enthalten. Ein JCAMP Dateiname sieht aus wie "sample.dx", "sample.jdx" oder "sample.jcm".

Ein Software-Tool zum predicten von JCAMP spectra ist der NIR-Predictor JCAMP.
Ein Software-Tool zur Anonymisierung Ihrer JCAMP-Daten finden Sie unter JCAMP-Anonymizer Software

Alle Daten werden als markierte Felder variabler Länge mit druckbaren ASCII-Zeichen gespeichert. Solche Dateien können in einem Text-Editor geladen werden, um den Inhalt zu überprüfen:


##TITLE= Indene (FILE: AFIR2.DX)
$$ FILE AFIR2.DX ( derived from TFIR2.DX)
$$ ABSORBANCE
$$ FIXED FORM
$$ INCREASING ABSCISSA
$$ RATIONAL ABSCISSA SPACING
##JCAMP-DX= 4.24 $$ Encoded by INTTODX 1.04 (RS McDonald)
##DATA TYPE= INFRARED SPECTRUM
##ORIGIN= JCAMP-DX Test Disk 1.04
R.S.McDonald, 9 Woodside Dr., Burnt Hills, NY 12027, 518-399-5145
##OWNER= Public Domain
##RESOLUTION= 2.0
##DELTAX=1.00000000
##XUNITS= 1/CM
##YUNITS= ABSORBANCE
##XFACTOR= 1.000000000
##YFACTOR= 0.000100000
##FIRSTX= 400.000
##LASTX= 4.000E+03
##NPOINTS= 3601
##FIRSTY= 3.487E-1
##XYDATA= (X++(Y..Y))
400 3487 3355 3264 3198 3153 3143 3182 3298 3520 3845 4262
411 4783 5449 6304 7383 8684 10209 12041 14123 16003 16162 14191
422 11791 9674 7943 6540 5406 4528 3874 3397 3045 2780 2584
433 2446 2354 2290 2246 2212 2187 2165 2135 2087 2022 1945
444 1865 1786 1713 1649 1596 1550 1512 1478 1448 1422 1401
:

Der Standard kann hier heruntergeladen werden: "JCAMP-DX: A Standard Form for the Exchange of Infrared Spectra in Computer Readable Form", ROBERT S. McDONALD and PAUL A. WILKS, JR. , Appl. Spectrosc. 42(1), pp151-162, 1988

New: the free NIR-Predictor software supports many other native and simple text formats like CSV, please see supported data file formats.


JCAMP-DX is a Electronic Data Standards for long-term storage and transfer of chemometric information. The standard is development by the International Union of Pure and Applied Chemistry (IUPAC).

JCAMP-DX is an abreviation for the Joint Committee on Atomic and Molecular Physical data - Data eXchange.

It is an human readable file format that is used to store near infrared spectrometry data (and others like Raman, UV, NMR, mass, x-ray, chromatograms, thermograms) and related chemical and physical information and is used since the late 80s.

Almost all NIR-software packages can export the spectra including the reference values as JCAMP-DX. A single file can contain multiple spectra and reference values. A JCAMP file name looks like "sample.dx", "sample.jdx" or "sample.jcm".

For a software tool to predict JCAMP spectra, see NIR-Predictor JCAMP.
For a software tool to anonymize your JCAMP data, see JCAMP-Anonymizer Software

All data are stored as labeled fields of variable length using printable ASCII characters. Such files can be loaded in an text editor to check the content:


##TITLE= Indene (FILE: AFIR2.DX)
$$ FILE AFIR2.DX ( derived from TFIR2.DX)
$$ ABSORBANCE
$$ FIXED FORM
$$ INCREASING ABSCISSA
$$ RATIONAL ABSCISSA SPACING
##JCAMP-DX= 4.24 $$ Encoded by INTTODX 1.04 (RS McDonald)
##DATA TYPE= INFRARED SPECTRUM
##ORIGIN= JCAMP-DX Test Disk 1.04
R.S.McDonald, 9 Woodside Dr., Burnt Hills, NY 12027, 518-399-5145
##OWNER= Public Domain
##RESOLUTION= 2.0
##DELTAX=1.00000000
##XUNITS= 1/CM
##YUNITS= ABSORBANCE
##XFACTOR= 1.000000000
##YFACTOR= 0.000100000
##FIRSTX= 400.000
##LASTX= 4.000E+03
##NPOINTS= 3601
##FIRSTY= 3.487E-1
##XYDATA= (X++(Y..Y))
400 3487 3355 3264 3198 3153 3143 3182 3298 3520 3845 4262
411 4783 5449 6304 7383 8684 10209 12041 14123 16003 16162 14191
422 11791 9674 7943 6540 5406 4528 3874 3397 3045 2780 2584
433 2446 2354 2290 2246 2212 2187 2165 2135 2087 2022 1945
444 1865 1786 1713 1649 1596 1550 1512 1478 1448 1422 1401
:

The standard can be downloaded here: "JCAMP-DX: A Standard Form for the Exchange of Infrared Spectra in Computer Readable Form", ROBERT S. McDONALD and PAUL A. WILKS, JR., Appl. Spectrosc. 42(1), pp151-162, 1988