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ACD/ChromManager

Features

Processing

  • Import chromatographic data from Waters Millennium32, Empower, and Empower 2; Dionex Chromeleon 6; PerkinElmer TotalChrom 6.1 and Turbochrom 4; Agilent ChemStation; NetCDF (AIA); and ASCII formats
  • Import LC/UV (PDA, DAD) records associated with chromatography data from Agilent ChemStation, Waters MassLynx, Waters Empower, and Dionex Chromeleon 6
  • Perform peak picking, smoothing, baseline correction, peak integration, and peak deconvolution on single chromatograms
  • Perform peak picking and baseline correction for LC/UV datasets
  • Import (export) structures from (to) an SDfile; the files can contain compound names and retention times
  • Manually assign chemical structures to peaks on your chromatogram
  • Automatically assign chemical structures from an SDfile to labeled chromatogram peaks
  • Attach multiple structures to a co-eluting peak
  • Automate standard processing steps with a macro program
  • Record all processing actions into the Audit Trail; transfer the Audit Trail to create a macro program to apply to subsequent data sets
  • Display a series of chromatograms on a single plot with structures, peak data, and annotations
  • Export chromatographic data to ACD/Labs Spectrum, NetCDF, and ASCII formats

Reporting

  • Produce professional reports with one chromatogram or a series, structure assignments, method parameters, peak tables, annotations, and more
  • Add the table of structures containing chemical structures and peak data to your reports
  • Create custom templates with your company logo for unified appearance of reports
  • Create reports as Adobe PDF files
  • Print reports according to the built-in or customized templates
  • Transfer reports to other applications, such as Microsoft Word

Compatible Data Formats


Vendor Data Format Extension Comments
Agilent Technologies 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,

Rev. 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 *.D UV, LC-UV and LC-MS
Entire *.D folder should be used
*.ms, *.ch, *.uv
EZChrom *.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, UV

Entire *.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 traces

May 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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