Spectroscopy and Chemometrics News Weekly #19, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #19, 2020Spettroscopia e Chemiometria Weekly News #19, 2020

NIR Calibration-Model Services

"Simultaneously multi quantitative value determination from a bunch of NIR spectra by drag and drop of multiple spectral files." | NIRS Spectroscopy - Image is Preview of V2.6 LINK

Calibration Model's free NIR-Predictor V2.5 Software Update is available today | Download here | NIRS NIR Spectroscopy Sensor Application Chemometric Prediction Report QualityControl Lab Laboratory Analysis Production LINK

Spectroscopy and Chemometrics News Weekly 18, 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 18, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 18, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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




Near-Infrared Spectroscopy (NIRS)

"Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy" LINK

"Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species" LINK

"Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process" LINK

"New applications of visnir spectroscopy for the prediction of soil properties" LINK

"Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …" LINK

"Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis." LINK




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

"Determination of nutritional parameters of bee pollen by Raman and infrared spectroscopy." LINK

"Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy" LINK

"Scientists demonstrate the ability of infrared ion spectroscopy to identify and distinguish the molecular structure of three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA." LINK

"Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds" LINK

"Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)." phenotyping LINK

"Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy" LINK

"THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE'S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY" LINK

"Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy" LINK

"Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning" LINK

"Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)" LINK

"Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression" LINK

"ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor" LINK

"Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating." LINK

"Continuously measurement of the dry matter content using near-infrared spectroscopy" LINK

"Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method." LINK

"A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy." LINK




Raman Spectroscopy

"Quantitative models for detecting the presence of lead in turmeric using Raman spectroscopy" LINK

"Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition" LINK




Hyperspectral Imaging (HSI)

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging." LINK

"Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images" LINK

"Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves" LINK

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging" LINK

"Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms" LINK

"A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves" LINK

"Deep learning applied to hyperspectral endoscopy for online spectral classification" DOI:10.1038/s41598-020-60574-6 LINK

"Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques" LINK




Chemometrics and Machine Learning

"Incorporation of two-dimensional correlation analysis into discriminant analysis as a potential tool for improving discrimination accuracy: Near-infrared spectroscopic discrimination of adulterated olive oils." LINK

"Building kinetic models for apple crispness to determine the optimal freshness preservation time during shelf life based on spectroscopy" LINK

"Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils" LINK

"Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands" LINK




Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK




Equipment for Spectroscopy

"Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts" LINK

"Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods" LINK

"Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …" LINK




Agriculture NIR-Spectroscopy Usage

"Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms" LINK

"Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China" LINK

"Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil" LINK




Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK




Food & Feed Industry NIR Usage

"Quantification of Ash and Moisture in Wheat Flour by Raman Spectroscopy" LINK




Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" LINK





.

NIR Calibration-Model Services

"Simultaneously multi quantitative value determination from a bunch of NIR spectra by drag and drop of multiple spectral files." | NIRS Spectroscopy - Image is Preview of V2.6 LINK

Calibration Model's free NIR-Predictor V2.5 Software Update is available today | Download here | NIRS NIR Spectroscopy Sensor Application Chemometric Prediction Report QualityControl Lab Laboratory Analysis Production LINK

Spectroscopy and Chemometrics News Weekly 18, 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 18, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 18, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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




Near-Infrared Spectroscopy (NIRS)

"Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy" LINK

"Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species" LINK

"Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process" LINK

"New applications of visnir spectroscopy for the prediction of soil properties" LINK

"Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …" LINK

"Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis." LINK




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

"Determination of nutritional parameters of bee pollen by Raman and infrared spectroscopy." LINK

"Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy" LINK

"Scientists demonstrate the ability of infrared ion spectroscopy to identify and distinguish the molecular structure of three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA." LINK

"Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds" LINK

"Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)." phenotyping LINK

"Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy" LINK

"THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE'S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY" LINK

"Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy" LINK

"Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning" LINK

"Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)" LINK

"Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression" LINK

"ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor" LINK

"Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating." LINK

"Continuously measurement of the dry matter content using near-infrared spectroscopy" LINK

"Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method." LINK

"A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy." LINK




Raman Spectroscopy

"Quantitative models for detecting the presence of lead in turmeric using Raman spectroscopy" LINK

"Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition" LINK




Hyperspectral Imaging (HSI)

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging." LINK

"Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images" LINK

"Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves" LINK

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging" LINK

"Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms" LINK

"A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves" LINK

"Deep learning applied to hyperspectral endoscopy for online spectral classification" DOI:10.1038/s41598-020-60574-6 LINK

"Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques" LINK




Chemometrics and Machine Learning

"Incorporation of two-dimensional correlation analysis into discriminant analysis as a potential tool for improving discrimination accuracy: Near-infrared spectroscopic discrimination of adulterated olive oils." LINK

"Building kinetic models for apple crispness to determine the optimal freshness preservation time during shelf life based on spectroscopy" LINK

"Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils" LINK

"Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands" LINK




Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK




Equipment for Spectroscopy

"Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts" LINK

"Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods" LINK

"Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …" LINK




Agriculture NIR-Spectroscopy Usage

"Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms" LINK

"Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China" LINK

"Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil" LINK




Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK




Food & Feed Industry NIR Usage

"Quantification of Ash and Moisture in Wheat Flour by Raman Spectroscopy" LINK




Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" LINK





.

NIR Calibration-Model Services

"Simultaneously multi quantitative value determination from a bunch of NIR spectra by drag and drop of multiple spectral files." | NIRS Spectroscopy - Image is Preview of V2.6 LINK

Calibration Model's free NIR-Predictor V2.5 Software Update is available today | Download here | NIRS NIR Spectroscopy Sensor Application Chemometric Prediction Report QualityControl Lab Laboratory Analysis Production LINK

Spectroscopy and Chemometrics News Weekly 18, 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 18, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 18, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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




Near-Infrared Spectroscopy (NIRS)

"Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy" LINK

"Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species" LINK

"Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process" LINK

"New applications of visnir spectroscopy for the prediction of soil properties" LINK

"Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …" LINK

"Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis." LINK




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

"Determination of nutritional parameters of bee pollen by Raman and infrared spectroscopy." LINK

"Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy" LINK

"Scientists demonstrate the ability of infrared ion spectroscopy to identify and distinguish the molecular structure of three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA." LINK

"Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds" LINK

"Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)." phenotyping LINK

"Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy" LINK

"THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE'S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY" LINK

"Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy" LINK

"Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning" LINK

"Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)" LINK

"Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression" LINK

"ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor" LINK

"Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating." LINK

"Continuously measurement of the dry matter content using near-infrared spectroscopy" LINK

"Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method." LINK

"A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy." LINK




Raman Spectroscopy

"Quantitative models for detecting the presence of lead in turmeric using Raman spectroscopy" LINK

"Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition" LINK




Hyperspectral Imaging (HSI)

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging." LINK

"Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images" LINK

"Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves" LINK

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging" LINK

"Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms" LINK

"A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves" LINK

"Deep learning applied to hyperspectral endoscopy for online spectral classification" DOI:10.1038/s41598-020-60574-6 LINK

"Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques" LINK




Chemometrics and Machine Learning

"Incorporation of two-dimensional correlation analysis into discriminant analysis as a potential tool for improving discrimination accuracy: Near-infrared spectroscopic discrimination of adulterated olive oils." LINK

"Building kinetic models for apple crispness to determine the optimal freshness preservation time during shelf life based on spectroscopy" LINK

"Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils" LINK

"Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands" LINK




Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK




Equipment for Spectroscopy

"Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts" LINK

"Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods" LINK

"Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …" LINK




Agriculture NIR-Spectroscopy Usage

"Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms" LINK

"Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China" LINK

"Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil" LINK




Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK




Food & Feed Industry NIR Usage

"Quantification of Ash and Moisture in Wheat Flour by Raman Spectroscopy" LINK




Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" 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