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| Vendor | Data Format | Required Parameter Files | Optional Parameter Files |
| ACD/Labs | *.spectrus, *.gnr, *.esp, *.txt, *.smp | ||
| Acorn NMR, Inc. | *.fid, *.nmr, *.2d | ||
| Agilent (Varian) | data, *.fdf, fid0001.fdf, *.txt, fid, phasefile, data* (VNMR, VnmrJ, SpinSight) | acq, proc, procpar | acq_2, text |
| ASCIIa | *.txt; *.prn, *.csv, *.asc | ||
| Bruker | *.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 Scientifica | *.spc | ||
| picoSpin (*.jdx) |
a File export is also supported (in the case of JCAMP, for 1D NMR only).
Currency Converter for Mac gives you access to up-to-date conversion rates, so you can perform currency calculations instantly anytime you need. Convert between multiple currencies at the same. Right-click, 'Run as administrator'. Once you do that, keep running PowDLL as usual. Incompatibility with RAW ver. PowDLL is (sometimes) incompatible with the latest (ver. 4) RAW format from Bruker. A possible workaround might be: 1) Use Bruker's 'File exchange' and convert ver.4 to ver.3 RAW 2) Use PowDLL with these v3 RAW files.
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| Vendor | Data Format | Extension | Comments |
|---|---|---|---|
| ACD/Labs | ACD/Spectrus ACD/SpecManager | *.spectrus, *.esp | |
| 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. |
| Analyst QS | *.wiff | Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. | |
| Analyst TF | *.wiff | ||
| Agilent | 1100 Series LC/MSD Quad and Ion Trap Systems | *.ms, *.yep | DAD data and single wavelength chromatograms. Splitter available. |
| ChemStation | *.ms | Splitter available. | |
| LC TOF | *.wiff | ||
| 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. | |
| 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 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 |
| 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. | |
| 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 a | *.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. | |
| PerkinElmer | TOFData | *.tofdata* | |
| TOFData Centroid | *.tofline | ||
| SCIEX | PE SCIEX API to Piff | *.~pi, *.~piff | |
| Shimadzu Corporation | LCMS-IT-TOF | *.lcd | LC-MS and LC-MSn data only. Requires vendor software on same computer. |
| GCMSsolution | *.qgd | GC-MS data | |
| LCMSsolution | *.qld | DAD data and single wavelength chromatograms. May require vendor software on same computer. | |
| LabSolutions | *.lcd, *.qgd | ioModule supports QTOF data and TIC or SIM traces. | |
| Thermo Scientific | Xcalibur | *.raw | Data splitting by Scan Filter parameters is available. |
| Galactic | *.spc | Export is available for single MS only. | |
| Unidata | netCDF | *.cdf, *.nc | Splitter available. |
| Varian | 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) | Import is no longer supported | ||
| Empower 2 and 3 (2D and 3D PDA data) | via Connect to1 or with help of ACD/Empower Add-on | ||
| Empower 2 and 3 (3D MS data) | LC-MS data. via Connect to1 or with help of ACD/Empower Add-on | ||
| UNIFI | via Connect to1 | ||
| Open Source | ASCII a | *.txt | Single MS only. |
| JCAMP a | *.dx, *.jdx | Splitter available. | |
| mzML | |||
| netCDF a | *.cdf, *.nc | Single MS and LC(GC)-MS data. |
a File export is also supported
1 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 | |
| Matrix a | *.txt | ||
| Open Source | ASCII a | *.txt; *.prn; *.csv; *.asc | |
| Agilent | 1100 Series LC/MSD Quad and Ion Trap Systems | *.ms, *.yep | UV, LC-UV and LC-MS |
| 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 | |
| Open Lab C v.1.04 | *.D | UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv | |
| 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 | |
| EZChrom | *.dat | UV traces only. Requires vendor software on same computer. | |
| AB SCIEX | Analyst | *.wiff | LC-UV and LC-MS |
| 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 a | *.mat | |
| PerkinElmer | TotalChrom™ | *.raw | Import was supported via Connect to2 until ACD/Labs products v. 2018 |
| Pic Solution | *.dat.csv | LC traces | |
| Shimadzu Corporation | LCMS-IT-TOF | *.lcd | LC-MS and LC-UV1 Requires vendor software on same computer. |
| 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 to2, or using an ACD/Atlas Add-on | |
| Xcalibur | *.raw | LC-MS, LC-UV and UV traces | |
| Chromeleon 6; 7 | UV and LC-UV, via Connect to2, or using an ACD/Chromeleon Add-on | ||
| Generalized Analytical Markup Language Hierarchy (GAML) | *.gaml | LC-UV and LC-MS data | |
| Unidata | netCDF | *.cdf, *.nc | 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 | *.arw | LC-UV | |
| Empower 2 and 3 | UV, LC-UV and LC-MS traces, via Connect to2 or using an ACD/Empower Add-on | ||
| UNIFI | via Connect to2 |
a File export is also supported.
1 To import *.lcd files from version 5.42SP2, vendor software should be installed on the same computer.
2 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 | |
| Agilent | HP 84552A | *.wav | |
| ChemStation a | *.uv | ||
| Agilent (Varian) | Cary UV | *.b*; *.d* | |
| ASCII single, dual and multicolumn | *.txt; *.prn; *.csv; *.asc | ||
| Bruker | OPUS | *.* | |
| DeltaNu | *.spc | ||
| Dionex | Chromeleon a | via Connect to1 or using an ACD/Chromeleon Add-on | |
| Foss NIRSystems | *.da | ||
| JASCO Corporation | J-700 | *.jws | |
| JCAMP, JCAMP multispectra | *.dx; *.jdx | ||
| LabControl | *.uvd; *.irs | ||
| MATLAB | DSO a | *.mat | |
| Ocean Optics | *.* | ||
| PerkinElmer Instruments | *.sp | ||
| Shimadzu Corporation | IR | *.irs | |
| Thermo Scientific | Galactic | *.spc | |
| Mattson | *.* | ||
| Nicolet OMNIC | *.spa; *.spg | ||
| Waters Corporation | Empower 2 and 3 | via Connect to1 or using an ACD/Empower Add-on | |
| MassLynx | *.inf |
a Diode Array Detector (DAD) support for hyphenated data.
1 How to open apps from unidentified developers. Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.
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| 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 a | |
| PowDLL b | *.* |
| Sirius Analytical Instruments | |
| STOE XRPD | *.raw |
| TA Instruments | *.* |
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.
b NET converter for XRPD files.
| Vendor | Data Format |
|---|---|
| ACD/Labs | *.sk2 |
| Adobe Acrobat (output only) | |
| 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 |
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- 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
| Vendor | Data Format |
|---|---|
| ASCIIa | *.txt; *.prn, *.csv, *.asc |
| JCAMPa | *.dx; *.jdx |
| Pistoia Alliance | *.helm; *.xhelm |
a File export is also supported (in the case of JCAMP, for 1D NMR only) Copyright mr. mac's virtual existence reality.
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At ACD/Labs we strive to support future analytical data format standardization efforts, such as AnIML.
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ACD/Labs is a member of the Allotrope Partner Network participating in the creation of the Allotrope Framework. Support of the emerging Allotrope analytical data standard is a strategic development goal for ACD/Labs. Learn more here.