ACD/Spectrus Processor

One-of-a-kind software to help you get answers from analytical data no matter the analytical technique or instrument vendor

Process, interpret, analyze, and review NMR, LC/MS, IR, and other analytical data, in one interface. ACD/Spectrus Processor provides support for all your major instrument vendor data formats (view supported data formats), and assistance with confirmation that spectral data matches a given chemical structure/structural fragments. Retain your interpretations and assignments, and create publication-ready data with a few clicks.

  • All-in-one processing and interpretation software for NMR, LC/GC/UV/MS, IR, and other techniques
  • Support for data formats from most major instrument vendors
  • Assistance with routine chemical structure confirmation
  • Sophisticated reports in one click

Pricing

Windows version only (see Requirements tab below).

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Processing & Interpretation

  • Handle 1D and 2D NMR data (from COSY, HETCOR, TOCSY and HMQC/HMBC/HSQC experiments) for 1H, 13C, 15N, 19F, 31P nuclei
  • Carry out basic spectral manipulations including Fourier Transform, weighting functions, phase and baseline correction, and calibration
  • Support for import of FID and FT data from all major spectrometer vendor formats
  • Automate routine workflows for pre-processing upon data import

Structure Verification

  • Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click.

Spectral Library Searching

  • Search records by a variety of structural, spectral and text-based parameters
  • Overlay results on the query spectrum with color highlighting of matching signals

Processing & Interpretation

  • Support for most instrument vendor formats
  • Automate routine steps of analysis by selecting pre-processing upon data import
  • Automatically confirm mass or molecular formula by the correspondence of mass spectral peaks
  • Add a structure, formula, or mass to the Table of Components to automatically extract a relevant mass chromatogram
  • Search peaks or a spectrum against a spectral library for fast compound identification

Assisted Chemical Structure Confirmation

  • Add a structure, an elemental composition, or a mass into the Table of Components to automatically extract a relevant mass chromatogram, or assign a peak to generate a mass spectrum
  • Examine the consistency of monoisotopic and isotopc peaks with experimental data using color-coded MS match categories

Spectral Library Searching

  • Search and view processed and interpreted analytical data; both in commercial and in-house databases

Processing & Interpretation

  • Support for most instrument vendor formats
  • Perform peak detection, smoothing, baseline correction, and integration
  • Assign chemical structures to peaks on your chromatogram
  • Display a series of associated chromatograms with structures, peak data, and annotations
  • Automate routine workflows with pre-processing options upon data import

Chromatographic Library Searching

  • Search records by a variety of structural, spectral and text-based parameters

Processing & Interpretation

  • Process and interpret data from a variety of optical techniques
  • Automate repetitious processing tasks with macro commands which can be applied to a spectral series as well as to a single spectrum
  • Attach chemical structures to analytical spectra; and assign peaks to chemical structural fragments, or directly to entries in the knowledgebase when a structure is not available
  • Import and export data from a variety of file formats

Structure Verification

  • Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations

Spectral Library Searching

  • Search records by a variety of structural, spectral and text-based parameters
  • Overlay results on the query spectrum with color highlighting of matching signals

Processing & Interpretation

  • Manage a wide range of analytical data, including EELS, thermal analysis, DMA, calorimetry, and much more
  • Perform various X- and Y-axis conversions and data manipulation
  • Automate routine tasks with advanced macro processing tools
  • Attach chemical structures to curves
  • Import and export data from a variety of file formats

Library Searching

  • Search records by a variety of structural, spectral and text-based parameters
  • Overlay results on the query spectrum with color highlighting of matching signals

Operating System Requirements:

  • Microsoft Windows 8.1 (x64)
  • Microsoft Windows 10 (x64)

Hardware Requirements

  • Microsoft Windows compatible PC with minimum 2-core CPU
  • 4 GB or more RAM
  • Minimum of 40 GB of disk space

Software Requirements

  • .NET Framework Version 2.0, 3.5, 4.5.2 (required for importing some file types)*

* ACD/Spectrus package may require:

  • .NET Framework Version 2.0 to import Agilent LCMS 6000 files and use the PowDLL converter for XRPD files
  • .NET Framework Version 3.5 to import Bruker CompassXtract files
  • .NET Framework Version 4.5.2 to support a scripting engine that uses .NET Assemblies
  • NMR

    Processing & Interpretation

    • Handle 1D and 2D NMR data (from COSY, HETCOR, TOCSY and HMQC/HMBC/HSQC experiments) for 1H, 13C, 15N, 19F, 31P nuclei
    • Carry out basic spectral manipulations including Fourier Transform, weighting functions, phase and baseline correction, and calibration
    • Support for import of FID and FT data from all major spectrometer vendor formats
    • Automate routine workflows for pre-processing upon data import

    Structure Verification

    • Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click.

    Spectral Library Searching

    • Search records by a variety of structural, spectral and text-based parameters
    • Overlay results on the query spectrum with color highlighting of matching signals
  • MS

    Processing & Interpretation

    • Support for most instrument vendor formats
    • Automate routine steps of analysis by selecting pre-processing upon data import
    • Automatically confirm mass or molecular formula by the correspondence of mass spectral peaks
    • Add a structure, formula, or mass to the Table of Components to automatically extract a relevant mass chromatogram
    • Search peaks or a spectrum against a spectral library for fast compound identification

    Assisted Chemical Structure Confirmation

    • Add a structure, an elemental composition, or a mass into the Table of Components to automatically extract a relevant mass chromatogram, or assign a peak to generate a mass spectrum
    • Examine the consistency of monoisotopic and isotopc peaks with experimental data using color-coded MS match categories

    Spectral Library Searching

    • Search and view processed and interpreted analytical data; both in commercial and in-house databases
  • Chromatography

    Processing & Interpretation

    • Support for most instrument vendor formats
    • Perform peak detection, smoothing, baseline correction, and integration
    • Assign chemical structures to peaks on your chromatogram
    • Display a series of associated chromatograms with structures, peak data, and annotations
    • Automate routine workflows with pre-processing options upon data import

    Chromatographic Library Searching

    • Search records by a variety of structural, spectral and text-based parameters
  • Optical

    Processing & Interpretation

    • Process and interpret data from a variety of optical techniques
    • Automate repetitious processing tasks with macro commands which can be applied to a spectral series as well as to a single spectrum
    • Attach chemical structures to analytical spectra; and assign peaks to chemical structural fragments, or directly to entries in the knowledgebase when a structure is not available
    • Import and export data from a variety of file formats

    Structure Verification

    • Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations

    Spectral Library Searching

    • Search records by a variety of structural, spectral and text-based parameters
    • Overlay results on the query spectrum with color highlighting of matching signals
  • Other Analytical Data

    Processing & Interpretation

    • Manage a wide range of analytical data, including EELS, thermal analysis, DMA, calorimetry, and much more
    • Perform various X- and Y-axis conversions and data manipulation
    • Automate routine tasks with advanced macro processing tools
    • Attach chemical structures to curves
    • Import and export data from a variety of file formats

    Library Searching

    • Search records by a variety of structural, spectral and text-based parameters
    • Overlay results on the query spectrum with color highlighting of matching signals
  • Requirements

    Operating System Requirements:

    • Microsoft Windows 8.1 (x64)
    • Microsoft Windows 10 (x64)

    Hardware Requirements

    • Microsoft Windows compatible PC with minimum 2-core CPU
    • 4 GB or more RAM
    • Minimum of 40 GB of disk space

    Software Requirements

    • .NET Framework Version 2.0, 3.5, 4.5.2 (required for importing some file types)*

    * ACD/Spectrus package may require:

    • .NET Framework Version 2.0 to import Agilent LCMS 6000 files and use the PowDLL converter for XRPD files
    • .NET Framework Version 3.5 to import Bruker CompassXtract files
    • .NET Framework Version 4.5.2 to support a scripting engine that uses .NET Assemblies
Vendor Data Format Required Parameter Files Optional Parameter Files
ACD/Labs *.spectrus, *.gnr, *.esp, *.txt, *.smp
Acorn NMR, Inc. *.fid, *.nmr, *.2d
Agilent (Varian, Inc.) data, *.fdf, fid0001.fdf, *.txt, fid, phasefile, data* (VNMR, VnmrJ, SpinSight) acq, proc, procpar acq_2, text
ASCII† *.txt; *.prn, *.csv, *.asc
Bruker Corporation *.ser, *.rr, *.fid, *.1r, *.1i, *.2rr, *.* (DISNMR, UXNMR, XWINNMR, WinNMR, TopSpin) acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2 title, intrng, *.tit, *.ti2
Felix *.*
Galactic *.spc
Gaussian Output *.log, *.out
GE *.raw, *.* (Nicolet), *.* (Omega)
JCAMP *.dx; *.jdx
JEOL Ltd. *.als, *.jdf, *.nmfid, *.nmf, *.bin, *.nmdata, *.nmd, *.gxd, *.* (Alpha, Generic, Delta, Lambda) *.gxp, *.hdr exp.param, exp.par
Lybrics *.*
Magritek *.1d; *.2d
MSI Felix *.*
Nanalysis *.dx
Nicolet *.dat
NUTS *.*
Oxford Instruments *.fid
QOneTec *.nmr
Tecmag *.tnt, *.* (MacNMR)
Thermo Scientific† *.spc, picoSpin (*.jdx)
Vendor ACD/Labs
Data Format *.spectrus, *.gnr, *.esp, *.txt, *.smp
Required Parameter Files
Optional Parameter Files
Vendor Acorn NMR, Inc.
Data Format *.fid, *.nmr, *.2d
Required Parameter Files
Optional Parameter Files
Vendor Agilent (Varian, Inc.)
Data Format data, *.fdf, fid0001.fdf, *.txt, fid, phasefile, data* (VNMR, VnmrJ, SpinSight)
Required Parameter Files acq, proc, procpar
Optional Parameter Files acq_2, text
Vendor ASCII†
Data Format *.txt; *.prn, *.csv, *.asc
Required Parameter Files
Optional Parameter Files
Vendor Bruker Corporation
Data Format *.ser, *.rr, *.fid, *.1r, *.1i, *.2rr, *.* (DISNMR, UXNMR, XWINNMR, WinNMR, TopSpin)
Required Parameter Files acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2
Optional Parameter Files title, intrng, *.tit, *.ti2
Vendor Felix
Data Format *.*
Required Parameter Files
Optional Parameter Files
Vendor Galactic
Data Format *.spc
Required Parameter Files
Optional Parameter Files
Vendor Gaussian Output
Data Format *.log, *.out
Required Parameter Files
Optional Parameter Files
Vendor GE
Data Format *.raw, *.* (Nicolet), *.* (Omega)
Required Parameter Files
Optional Parameter Files
Vendor JCAMP
Data Format *.dx; *.jdx
Required Parameter Files
Optional Parameter Files
Vendor JEOL Ltd.
Data Format *.als, *.jdf, *.nmfid, *.nmf, *.bin, *.nmdata, *.nmd, *.gxd, *.* (Alpha, Generic, Delta, Lambda)
Required Parameter Files *.gxp, *.hdr
Optional Parameter Files exp.param, exp.par
Vendor Lybrics
Data Format *.*
Required Parameter Files
Optional Parameter Files
Vendor Magritek
Data Format *.1d; *.2d
Required Parameter Files
Optional Parameter Files
Vendor MSI Felix
Data Format *.*
Required Parameter Files
Optional Parameter Files
Vendor Nanalysis
Data Format *.dx
Required Parameter Files
Optional Parameter Files
Vendor Nicolet
Data Format *.dat
Required Parameter Files
Optional Parameter Files
Vendor NUTS
Data Format *.*
Required Parameter Files
Optional Parameter Files
Vendor Oxford Instruments
Data Format *.fid
Required Parameter Files
Optional Parameter Files
Vendor QOneTec
Data Format *.nmr
Required Parameter Files
Optional Parameter Files
Vendor Tecmag
Data Format *.tnt, *.* (MacNMR)
Required Parameter Files
Optional Parameter Files
Vendor Thermo Scientific†
Data Format *.spc, picoSpin (*.jdx)
Required Parameter Files
Optional Parameter Files

† File export is also supported

Vendor Data Format Extension Comments
ACD/Labs ACD/Spectrus ACD/SpecManager *.spectrus, *.esp
Agilent 1100 Series LC/MSD Quad and Ion Trap Systems *.ms, *.yep DAD data and single chromatogram curve are imported also. Splitter available
Agilent ChemStation *.ms Splitter available
Agilent LC TOF *.wiff
Agilent MassHunter (6000 series) *.bin Entire *.D folder should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported and MS/MS split controlled.
Agilent OpenLab Rev. C.01.07, C.01.08, C.01.09 *.D UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Applied Biosystems Mariner Data Explorer ASCII LC/MS *.txt LC-MS data only
Bruker and Agilent Agilent or Bruker LC/MS Ion Trap *.yep LC-MS and DAD data
Bruker Compass (accurate mass data) *.d Entire *.D folder structure should be used. Bruker component requires Microsoft .NET version 3.5. Possible issue noted for MaXis Impact data.
Hitachi LIT-TOF *.dat Import no longer supported
Hitachi M-8000 and D-7000 *.msd; *.dad LC-MS and DAD data
JEOL (Japan) JEOL-DX *.jsp, *.jpf, *.jmc Single mass spectra and chromatogram curves
JEOL (Japan) JEOL K9 *.spe LC(GC)-MS data
JEOL (Japan) JEOL XMS *.dat GC-MS data
LECO Corporation ChromaTOF-HRT™ for Citius™ (LC) and Pegasus® (GC) HRTs *.smp GC/MS or LC/MS data; LC/MS with in-source CID provides separate precursor and fragment ion (isCID) channels; LECO GC-TOF MS data is supported.
Matlab/Eigenvector Research DSO format† *.mat Single mass spectra and LC(GC)-MS data
National Institute of Standards and Technology NIST MS Software *.msp Uses Lib2NIST to convert .msp to supported format (.hpj or .sdf)
National Institute of Standards and Technology NIST SDF Library *.sdf Splitter available
SCIEX Analyst *.wiff, *.wiff.scan Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported. LightSight—Spectra are supported via export to NetCDF.
SCIEX Analyst QS *.wiff Single mass spectra, LC-MS and most LC-MSn imported. Splitter available
SCIEX Analyst TF *.wiff
Shimadzu Corporation LCMS-IT-TOF *.lcd LC-MS and LC-MSn data only. Requires vendor software on same computer.
Shimadzu Corporation GCMSsolution *.qgd GC-MS data
Shimadzu Corporation LCMSsolution *.qld DAD data and single wavelength chromatograms. May require vendor software on same computer.
Shimadzu Corporation LabSolutions *.lcd, *.qgd ioModule supports QTOF data and TIC or SIM traces
Thermo Scientific Xcalibur *.raw Data splitting by Scan Filter parameters is available
Thermo Scientific Galactic *.spc Export is available for single MS only
Unidata netCDF *.cdf, *.nc Splitter available
Varian, Inc. 1200 *.dat Splitter available
Varian, Inc. XMS *.xms, *.sms Splitter available
Varian, Inc. Saturn 2000 *.sms Splitter available
Waters Corporation Empower 2 and 3 (2D and 3D PDA data) Via Connect to†† or with help of ACD/Empower Add-on
Waters Corporation Empower 2 and 3 (3D MS data) LC-MS data. Via Connect to†† or with help of ACD/Empower Add-on
Waters Corporation MassLynx *.raw All files in the folder containing the _functns.inf file are necessary for data import. Splitter available
Waters Corporation Micromass OpenLynx *.rpt Splitter available
Waters Corporation Millennium32 (2D and 3D PDA data) Import is no longer supported
Waters Corporation UNIFI Via Connect to††
Open Source ASCII† *.txt Single MS only
Open Source JCAMP† *.dx, *.jdx Splitter available
Open Source mzML
Open Source netCDF† *.cdf, *.nc Single MS and LC(GC)-MS data
Vendor ACD/Labs
Data Format ACD/Spectrus ACD/SpecManager
Extension *.spectrus, *.esp
Comments
Vendor Agilent
Data Format 1100 Series LC/MSD Quad and Ion Trap Systems
Extension *.ms, *.yep
Comments DAD data and single chromatogram curve are imported also. Splitter available
Vendor Agilent
Data Format ChemStation
Extension *.ms
Comments Splitter available
Vendor Agilent
Data Format LC TOF
Extension *.wiff
Comments
Vendor Agilent
Data Format MassHunter (6000 series)
Extension *.bin
Comments Entire *.D folder should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported and MS/MS split controlled.
Vendor Agilent
Data Format OpenLab Rev. C.01.07, C.01.08, C.01.09
Extension *.D
Comments UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Vendor Applied Biosystems
Data Format Mariner Data Explorer ASCII LC/MS
Extension *.txt
Comments LC-MS data only
Vendor Bruker and Agilent
Data Format Agilent or Bruker LC/MS Ion Trap
Extension *.yep
Comments LC-MS and DAD data
Vendor Bruker
Data Format Compass (accurate mass data)
Extension *.d
Comments Entire *.D folder structure should be used. Bruker component requires Microsoft .NET version 3.5. Possible issue noted for MaXis Impact data.
Vendor Hitachi
Data Format LIT-TOF
Extension *.dat
Comments Import no longer supported
Vendor Hitachi
Data Format M-8000 and D-7000
Extension *.msd; *.dad
Comments LC-MS and DAD data
Vendor JEOL (Japan)
Data Format JEOL-DX
Extension *.jsp, *.jpf, *.jmc
Comments Single mass spectra and chromatogram curves
Vendor JEOL (Japan)
Data Format JEOL K9
Extension *.spe
Comments LC(GC)-MS data
Vendor JEOL (Japan)
Data Format JEOL XMS
Extension *.dat
Comments GC-MS data
Vendor LECO Corporation
Data Format ChromaTOF-HRT™ for Citius™ (LC) and Pegasus® (GC) HRTs
Extension *.smp
Comments GC/MS or LC/MS data; LC/MS with in-source CID provides separate precursor and fragment ion (isCID) channels; LECO GC-TOF MS data is supported.
Vendor Matlab/Eigenvector Research
Data Format DSO format†
Extension *.mat
Comments Single mass spectra and LC(GC)-MS data
Vendor National Institute of Standards and Technology
Data Format NIST MS Software
Extension *.msp
Comments Uses Lib2NIST to convert .msp to supported format (.hpj or .sdf)
Vendor National Institute of Standards and Technology
Data Format NIST SDF Library
Extension *.sdf
Comments Splitter available
Vendor SCIEX
Data Format Analyst
Extension *.wiff, *.wiff.scan
Comments Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported. LightSight—Spectra are supported via export to NetCDF.
Vendor SCIEX
Data Format Analyst QS
Extension *.wiff
Comments Single mass spectra, LC-MS and most LC-MSn imported. Splitter available
Vendor SCIEX
Data Format Analyst TF
Extension *.wiff
Comments
Vendor Shimadzu Corporation
Data Format LCMS-IT-TOF
Extension *.lcd
Comments LC-MS and LC-MSn data only. Requires vendor software on same computer.
Vendor Shimadzu Corporation
Data Format GCMSsolution
Extension *.qgd
Comments GC-MS data
Vendor Shimadzu Corporation
Data Format LCMSsolution
Extension *.qld
Comments DAD data and single wavelength chromatograms. May require vendor software on same computer.
Vendor Shimadzu Corporation
Data Format LabSolutions
Extension *.lcd, *.qgd
Comments ioModule supports QTOF data and TIC or SIM traces
Vendor Thermo Scientific
Data Format Xcalibur
Extension *.raw
Comments Data splitting by Scan Filter parameters is available
Vendor Thermo Scientific
Data Format Galactic
Extension *.spc
Comments Export is available for single MS only
Vendor Unidata
Data Format netCDF
Extension *.cdf, *.nc
Comments Splitter available
Vendor Varian, Inc.
Data Format 1200
Extension *.dat
Comments Splitter available
Vendor Varian, Inc.
Data Format XMS
Extension *.xms, *.sms
Comments Splitter available
Vendor Varian, Inc.
Data Format Saturn 2000
Extension *.sms
Comments Splitter available
Vendor Waters Corporation
Data Format Empower 2 and 3 (2D and 3D PDA data)
Extension
Comments Via Connect to†† or with help of ACD/Empower Add-on
Vendor Waters Corporation
Data Format Empower 2 and 3 (3D MS data)
Extension
Comments LC-MS data. Via Connect to†† or with help of ACD/Empower Add-on
Vendor Waters Corporation
Data Format MassLynx
Extension *.raw
Comments All files in the folder containing the _functns.inf file are necessary for data import. Splitter available
Vendor Waters Corporation
Data Format Micromass OpenLynx
Extension *.rpt
Comments Splitter available
Vendor Waters Corporation
Data Format Millennium32 (2D and 3D PDA data)
Extension
Comments Import is no longer supported
Vendor Waters Corporation
Data Format UNIFI
Extension
Comments Via Connect to††
Vendor Open Source
Data Format ASCII†
Extension *.txt
Comments Single MS only
Vendor Open Source
Data Format JCAMP†
Extension *.dx, *.jdx
Comments Splitter available
Vendor Open Source
Data Format mzML
Extension
Comments
Vendor Open Source
Data Format netCDF†
Extension *.cdf, *.nc
Comments Single MS and LC(GC)-MS data

File export is also supported
†† Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.

Vendor Data Format Extension Comments
ACD/Labs ACD/Spectrus ACD/SpecManager *.spectrus, *.esp
ACD/Labs Matrix† *.txt
Agilent 1100 Series LC/MSD Quad and Ion Trap Systems *.ms, *.yep *.wav UV, LC-UV and LC-MS
Agilent ChemStation Rev. B.02.01, B.03.01, B.04.01, B.04.02, B.04.03, C.01.04 *.D UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Agilent Open Lab C v.1.04 *.D UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Agilent Open Lab Rev. C.01.07, C.01.08, C.01.09 *.D UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Agilent EZChrom *.dat UV traces only. Requires vendor software on same computer.
Bruker and Agilent Agilent or Bruker LC/MS Ion Trap *.yep LC-UV and LC-MS
Bruker Compass (accurate mass data) *.D LC-MS, LC-UV, UV Entire *.D folder should be used.
MATLAB DSO† *.mat
Open Source ASCII† *.txt; *.prn; *.csv; *.asc
PerkinElmer TotalChrom™ *.raw Import was supported via Connect to†† until ACD/Labs products v. 2018
Pic Solution *.dat.csv LC traces
SCIEX Analyst *.wiff LC-UV and LC-MS
Shimadzu Corporation LCMS-IT-TOF *.lcd LC-MS and LC-UV††† Requires vendor software on same computer.
Shimadzu Corporation LCMSsolution *.qld LC-MS, LC-UV and UV traces May require vendor software on same computer
Thermo Scientific Atlas PDA and DAD traces via Connect to††, or using an ACD/Atlas Add-on
Thermo Scientific Chromeleon 6; 7 UV and LC-UV, via Connect to††, or using an ACD/Chromeleon Add-on
Thermo Scientific Generalized Analytical Markup Language Hierarchy (GAML) *.gaml LC-UV and LC-MS data
Thermo Scientific Xcalibur *.raw LC-MS, LC-UV and UV traces
Unidata netCDF *.cdf, *.nc LC-MS, LC-UV and UV traces
Waters Corporation Empower LCUV data *.arw LC-UV
Waters Corporation Empower 2 and 3 UV, LC-UV and LC-MS traces, via Connect to†† or using an ACD/Empower Add-on
Waters Corporation MassLynx *.raw LC-UV and LC-MS
Waters Corporation Micromass OpenLynx *.rpt LC-UV and LC-MS
Waters Corporation UNIFI via Connect to††
Vendor ACD/Labs
Data Format ACD/Spectrus ACD/SpecManager
Extension *.spectrus, *.esp
Comments
Vendor ACD/Labs
Data Format Matrix†
Extension *.txt
Comments
Vendor Agilent
Data Format 1100 Series LC/MSD Quad and Ion Trap Systems
Extension *.ms, *.yep *.wav
Comments UV, LC-UV and LC-MS
Vendor Agilent
Data Format ChemStation Rev. B.02.01, B.03.01, B.04.01, B.04.02, B.04.03, C.01.04
Extension *.D
Comments UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Vendor Agilent
Data Format Open Lab C v.1.04
Extension *.D
Comments UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Vendor Agilent
Data Format Open Lab Rev. C.01.07, C.01.08, C.01.09
Extension *.D
Comments UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv
Vendor Agilent
Data Format EZChrom
Extension *.dat
Comments UV traces only. Requires vendor software on same computer.
Vendor Bruker and Agilent
Data Format Agilent or Bruker LC/MS Ion Trap
Extension *.yep
Comments LC-UV and LC-MS
Vendor Bruker
Data Format Compass (accurate mass data)
Extension *.D
Comments LC-MS, LC-UV, UV Entire *.D folder should be used.
Vendor MATLAB
Data Format DSO†
Extension *.mat
Comments
Vendor Open Source
Data Format ASCII†
Extension *.txt; *.prn; *.csv; *.asc
Comments
Vendor PerkinElmer
Data Format TotalChrom™
Extension *.raw
Comments Import was supported via Connect to†† until ACD/Labs products v. 2018
Vendor Pic Solution
Data Format
Extension *.dat.csv
Comments LC traces
Vendor SCIEX
Data Format Analyst
Extension *.wiff
Comments LC-UV and LC-MS
Vendor Shimadzu Corporation
Data Format LCMS-IT-TOF
Extension *.lcd
Comments LC-MS and LC-UV††† Requires vendor software on same computer.
Vendor Shimadzu Corporation
Data Format LCMSsolution
Extension *.qld
Comments LC-MS, LC-UV and UV traces May require vendor software on same computer
Vendor Thermo Scientific
Data Format Atlas
Extension
Comments PDA and DAD traces via Connect to††, or using an ACD/Atlas Add-on
Vendor Thermo Scientific
Data Format Chromeleon 6; 7
Extension
Comments UV and LC-UV, via Connect to††, or using an ACD/Chromeleon Add-on
Vendor Thermo Scientific
Data Format Generalized Analytical Markup Language Hierarchy (GAML)
Extension *.gaml
Comments LC-UV and LC-MS data
Vendor Thermo Scientific
Data Format Xcalibur
Extension *.raw
Comments LC-MS, LC-UV and UV traces
Vendor Unidata
Data Format netCDF
Extension *.cdf, *.nc
Comments LC-MS, LC-UV and UV traces
Vendor Waters Corporation
Data Format Empower LCUV data
Extension *.arw
Comments LC-UV
Vendor Waters Corporation
Data Format Empower 2 and 3
Extension
Comments UV, LC-UV and LC-MS traces, via Connect to†† or using an ACD/Empower Add-on
Vendor Waters Corporation
Data Format MassLynx
Extension *.raw
Comments LC-UV and LC-MS
Vendor Waters Corporation
Data Format Micromass OpenLynx
Extension *.rpt
Comments LC-UV and LC-MS
Vendor Waters Corporation
Data Format UNIFI
Extension
Comments via Connect to††

File export is also supported
†† Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.
†† To import *.lcd files from version 5.42SP2, vendor software should be installed on the same computer.

Vendor Data Format Extension Comments
ACD/Labs ACD/Spectrus ACD/SpecManager *.spectrus, *.esp
Agilent HP 84552A *.wav
Agilent ChemStation† *.uv
Agilent (Varian) Cary UV *.b*; *.d*
ASCII single, dual and multicolumn *.txt; *.prn; *.csv; *.asc
Bruker OPUS *.*
DeltaNu *.spc
Dionex Chromeleon† via Connect to†† or using an ACD/Labs Chromeleon Add-on
Foss NIRSystems *.da
JASCO Corporation J-700 *.jws
JCAMP, JCAMP multispectra *.dx; *.jdx
LabControl *.uvd; *.irs
MATLAB DSO† *.mat
Ocean Optics *.*
PerkinElmer Instruments *.sp
Shimadzu Corporation IR *.irs
Thermo Scientific Galactic *.spc
Thermo Scientific Mattson *.*
Thermo Scientific Nicolet OMNIC *.spa; *.spg
Waters Corporation Empower 2 and 3 via Connect to†† or using an ACD/Empower Add-on
Waters Corporation MassLynx *.inf
Vendor ACD/Labs
Data Format ACD/Spectrus ACD/SpecManager
Extension *.spectrus, *.esp
Comments
Vendor Agilent
Data Format HP 84552A
Extension *.wav
Comments
Vendor Agilent
Data Format ChemStation†
Extension *.uv
Comments
Vendor Agilent (Varian)
Data Format Cary UV
Extension *.b*; *.d*
Comments
Vendor ASCII single, dual and multicolumn
Data Format
Extension *.txt; *.prn; *.csv; *.asc
Comments
Vendor Bruker
Data Format OPUS
Extension *.*
Comments
Vendor DeltaNu
Data Format
Extension *.spc
Comments
Vendor Dionex
Data Format Chromeleon†
Extension
Comments via Connect to†† or using an ACD/Labs Chromeleon Add-on
Vendor Foss NIRSystems
Data Format
Extension *.da
Comments
Vendor JASCO Corporation
Data Format J-700
Extension *.jws
Comments
Vendor JCAMP, JCAMP multispectra
Data Format
Extension *.dx; *.jdx
Comments
Vendor LabControl
Data Format
Extension *.uvd; *.irs
Comments
Vendor MATLAB
Data Format DSO†
Extension *.mat
Comments
Vendor Ocean Optics
Data Format
Extension *.*
Comments
Vendor PerkinElmer Instruments
Data Format
Extension *.sp
Comments
Vendor Shimadzu Corporation
Data Format IR
Extension *.irs
Comments
Vendor Thermo Scientific
Data Format Galactic
Extension *.spc
Comments
Vendor Thermo Scientific
Data Format Mattson
Extension *.*
Comments
Vendor Thermo Scientific
Data Format Nicolet OMNIC
Extension *.spa; *.spg
Comments
Vendor Waters Corporation
Data Format Empower 2 and 3
Extension
Comments via Connect to†† or using an ACD/Empower Add-on
Vendor Waters Corporation
Data Format MassLynx
Extension *.inf
Comments

Diode Array Detector (DAD) support for hyphenated data.
Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.

Vendor Data Format
ACD/Labs *.spectrus, *.esp
ASCII single, dual and multi column *.txt; *.prn; *.csv; *.asc
Bruker DIFFRAC-AT *.raw
Bruker DIFFRAC-PLUS *.raw
Galactic *.spc
Gatan *.dm3
JCAMP, JCAMP multispectra *.dx; *.jdx
PANalytical XRDML†
PowDLL†† *.*
Sirius Analytical Instruments
STOE XRPD *.raw
TA Instruments *.*
Vendor ACD/Labs
Data Format *.spectrus, *.esp
Vendor ASCII single, dual and multi column
Data Format *.txt; *.prn; *.csv; *.asc
Vendor Bruker DIFFRAC-AT
Data Format *.raw
Vendor Bruker DIFFRAC-PLUS
Data Format *.raw
Vendor Galactic
Data Format *.spc
Vendor Gatan
Data Format *.dm3
Vendor JCAMP, JCAMP multispectra
Data Format *.dx; *.jdx
Vendor PANalytical XRDML†
Data Format
Vendor PowDLL††
Data Format *.*
Vendor Sirius Analytical Instruments
Data Format
Vendor STOE XRPD
Data Format *.raw
Vendor TA Instruments
Data Format *.*

Older Philips X-Ray instrument data RD and UDF formats may be converted to the PANalytical XRDML formats with conversion software provided by PANalytical.
NET converter for XRPD files.