One of the strengths of our software is the ability to incorporate data from various analytical techniques and vendor file formats together, on a single software platform. Our software is compatible with most major instrument vendors' formats in addition to industry standard and open source formats. We work closely with instrument vendors to ensure that new formats are added as technology evolves.
Click on each button to expand the file formats for that technique or product area.
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NMR
Vendor File Format Required Parameter Files Optional Parameter Files ACD/Labs *.spectrus, *.esp, *.txt Acorn NMR, Inc. *.fid, *.nmr, *.2d Agilent (Varian, Inc.) data, *.fdf, fid0001.fdf, *.txt, fid, phasefile acq, proc, procpar acq_2, text ASCII† *.txt; *.prn, *.csv, *.asc Bruker Corporation ser, rr, .fid, *r, 1i, 2rr,
*.* (DISNMR)acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2 title, intrng, *.tit, *.ti2 GE *.raw, *.* (Nicolet) JCAMP† *.dx; *.jdx JEOL Ltd. *.als, *.nmfid, *.nmf, *.nmdata, *.nmd, *.gxd, *.bin, *.* (Delta) *.gxp, *.hdr exp.param, exp.par Lybrics *.* MSI Felix *.* Tecmag *.tnt, *.* (MacNMR) Thermo Scientific† *.spc † File export is also supported (in the case of JCAMP, for 1D NMR only)
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Mass Spectrometry
Vendor Data Format Import Export Extension Comments ACD/Labs ACD/Labs ✔ ✔ *.spectrus, *.esp Agilent Technologies 1100 Series LC/MSD Quad and Ion Trap Systems ✔ *.ms, *.yep DAD data and single chromatogram curve are imported also. Splitter available ChemStation ✔ *.ms Splitter available LC TOF ✔ *.wiff MassHunter (6000 series) ✔ *.bin Entire *.D folder structure should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported (V12) and MS/MS split controlled in newer versions AB SCIEX Analyst ✔ *.wiff Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported ✔ See above LightSight—Spectra are 'pushed' via ACD/Labs (NetCDF) Analyst QS ✔ *.wiff Single mass spectra, LC-MS and most LC-MSn imported. Splitter available Analyst TF ✔ *.wiff Applied Biosystems Mariner Data Explorer ASCII LC/MS ✔ *.txt LC-MS data only Bruker Daltonics and Agilent Technologies 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 Not supported in ACD/Spectrus products 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 K9 ✔ *.spe LC(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 MasCom MASPEC II32 Data System MASPEC ✔ *.ms2 Single mass spectra and LC(GC)-MS data 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) NIST SDF Library ✔ *.sdf Splitter available Shimadzu Corporation† LCMS-IT-TOF ✔ *.lcd LC-MS and LC-MSn data only. Requires vendor software on same computer. GCMSsolution ✔ *.qgd GC-MS data (v11) LCMSsolution ✔ *.qld DAD data and single chromatogram curve are also imported. May require vendor software on same computer Thermo Scientific Xcalibur ✔ *.raw Data splitting by Scan Filter parameters is available; format is supported only for Windows NT 4.0, Windows 2000, Windows XP, and Windows 7. Splitter available, to v2.2 Finnigan ICIS II ✔ *.dat Splitter available Galactic ✔ *.spc Export is available for single MS only Unidata netCDF ✔ *.cdf, *.nc Splitter available Varian, Inc. 1200 ✔ *.dat Splitter available XMS ✔ *.xms, *.sms Splitter available Saturn 2000 ✔ *.sms Splitter available Waters Corporation MassLynx ✔ *.raw All files in the folder containing the _functns.inf file are necessary for data import. Splitter available Micromass OpenLynx ✔ *.rpt Splitter available Millennium32 (2D and 3D PDA data) ✔ "Connect to" ability available Empower (2D and 3D PDA data) and Empower 2 (2D and 3D PDA data) ✔ "Connect to" ability available Empower (3D MS data) ✔ LC-MS data only Open Source ASCII ✔ ✔ *.txt Single MS only JCAMP ✔ ✔ *.dx, *.jdx Splitter available mzML ✔ netCDF ✔ ✔ *.cdf, *.nc Single MS and LC(GC)-MS data †If you are a Shimadzu customer or intend to import Shimadzu data, check if any Shimadzu software has already been installed on the same computer prior to installing any of the ACD/Labs mass spectrometry packages. Problems can occur if both are installed on the same computer. For further assistance, please contact ACD/Labs Technical Support.
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Chromatography
Vendor Data Format Extension Comments Agilent Technologies 1100 Series LC/MSD Quad and Ion Trap Systems *.ms, *.yep UV, LC-UV and LC-MS ChemStationRev. B.02.01, B.03.01, B.04.01, B.04.02, B.04.03,Rev. C.01.04 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uvOpen Lab C v.1.04 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uvOpen Lab Rev. C.01.07 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uvEZChrom *.dat UV traces only. AB SCIEX Analyst *.wiff LC-UV and LC-MS Bruker Daltonics and Agilent Technologies Agilent or Bruker LC/MS Ion Trap *.yep LC-UC and LC-MS Bruker Compass (accurate mass data) *.D LC-MS, LC-UV, UVEntire *.D folder structure should be used. Shimadzu Corporation LCMS-IT-TOF *.lcd LC-MS and LC-UV. Requires vendor software on same computer. LCMSsolution *.qld LC-MS, LC-UV and UV tracesMay require vendor software on same computer Thermo Scientific Xcalibur *.raw LC-MS, LC-UV and UV traces Chromeleon® 6 UV and LC-UV, via Connect to Unidata netCDF *.cdf LC-MS, LC-UV and UV traces Waters Corporation MassLynx *.raw LC-UV and LC-MS Micromass OpenLynx *.rpt LC-UV and LC-MS Empower LCUV data 1 *.arw LC-UV Empower 2 and 3 UV, LC-UV and LC-MS traces, via Connect to. PerkinElmer® TotalChrom™ 2 *.raw UV chromatograms via Connect to 1 Support for hyphenated data involving Diode Array Detector (DAD) 2 "Connect To"
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Optical Spectroscopy
Vendor Data Format File Format Comments ACD/Labs ACD/Labs *.spectrus, *.esp Agilent Technologies HP 84552A *.wav ChemStation † *.uv ASCII single, dual and multicolumn *.txt; *.prn; *.csv; *.asc Bruker OPUS *.* DeltaNu *.spc Dionex Chromeleon † "Connect to" ability available 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 IR *.irs Thermo Scientific Galactic *.spc Mattson *.* Nicolet OMNIC *.spa; *.spg Varian Cary UV *.b*; *.d* Waters Corporation † Empower and Empower 2 "Connect to" ability available MassLynx *.inf Millennium 32 "Connect to" ability available † Diode Array Detector (DAD) support for hyphenated data.
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Curves
Vendor File Format JCAMP *.dx; *.jdx ACD/Labs *.spectrus, *.esp ASCII single, dual and multi column *.txt; *.prn; *.csv; *.asc Galactic *.spc Gatan *.dm3 TA Instruments *.* PANalytical XRDML a) Bruker DIFFRAC-AT *.raw Bruker DIFFRAC-PLUS *.raw Sirius Analytical Instruments STOE XRPD *.raw a) Older Philips X-Ray instrument data RD and UDF formats may be converted to the PANalytical XRDML formats with conversion software provided by PANalytical.
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ChemSketch
Vendor File Format ACD/Labs *.sk2 Adobe Acrobat (output only) *.pdf Symyx *.mol, *.sdf, *.rxn ChemDraw *.chm, *.cdx ISIS Sketch *.skc InChI SMILES Chemical Markup Language (output only) *.cml GIF image format *.gif PNG image format *.png JPG image format (input only) *.jpg Windows Bitmap *.bmp, *.dib Paintbrush (output only) *.pcx TIFF Bitmap (output only) *.tif HTML (output only) *.html Windows Metafile *.wmf ChemSketch 1.0 (input only) *.mst, *.rtp - Some file formats require the installation of ChemBasic Goodies, a separate download and installation for freeware users
- You can still input structures from unsupported formats by opening the file with another program and pasting it into ACD/ChemSketch as an OLE object
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Open Source
Vendor File Format ASCII† *.txt; *.prn, *.csv, *.asc JCAMP† *.dx; *.jdx † File export is also supported (in the case of JCAMP, for 1D NMR only)
We strive to support future analytical data format standardization efforts, such as AnIML. We are members of the Allotrope Partner Network participating in the creation of a standard analytical data framework (ADF), and support the Allotrope data format *.adf (beta version).
We are continually adding new data formats to our list. If you cannot find the format you are looking for, please contact us at info@acdlabs.com. We are happy to work with customers and instrument vendors to broaden the data file formats supported by our software.
Note: The list of data formats supported by ACD/Labs software can also be expanded with your own (or third-party) converters using a DOS executable or the ChemBasic programming language.