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 Import Export File Format
ACD/Labs Spectrus checkmark checkmark *.spectrus
ChromManager or Spectrus checkmark checkmark *.esp
Matrix checkmark checkmark *.txt
ASCII checkmark checkmark *.txt; *.prn; *.csv; *.asc
Agilent ChemStation1 checkmark Entire *.D folder should be used
*.ms, *.ch, *.uv1
EZChrom4 checkmark *.dat
Dionex® Chromeleon® 6 1,2 checkmark
MATLAB® DSO 1 checkmark checkmark *.mat
PerkinElmer® TotalChrom™ 2 checkmark *.raw, *.rst, *.sep, *.sum
Turbochrom™ 4 checkmark *.rax
Shimadzu Corporation LabSolutions1,3 checkmark *.lcd
Unidata netCDF checkmark checkmark *.cdf, *.nc
Waters® Millennium® 32 1 checkmark
Empower™ Empower 2 and 3 1,2 checkmark
MassLynx 1 checkmark Entire *.raw folder should be used
Empower LCUV data 1 checkmark *.arw
Thermo Fisher Scientific Generalized Analytical XML checkmark checkmark *.gaml

1 Support for hyphenated data involving Diode Array Detector (DAD)
2 "Connect To"
3 For importing *.lcd files from the latest version 5.42SP2 we need in vendor's software, installed on the same computer
4 For importing *.dat files we need in vendor's software, installed on the same computer