ACD/Method Selection Suite Features :: Better Chromatography Methods, in Less Time :: ACD/Labs
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ACD/Method Selection Suite Features

LC Features

GC Features

PhysChem Prediction Features

Adsorption Coefficient (KOC) Index of Refraction Parachor
Bio-Concentration Factor Molar Refractivity Polar Surface Area
Density Molar Volume Polarizability
Freely Rotatable Bonds Molecular Weight Surface Tension
H-Bond Donors and Acceptors    

Processing Features

Supported File 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

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 *.arw LC-UV
Empower 2 and 3   UV, LC-UV and LC-MS traces, via Connect to.
PerkinElmer® TotalChrom™ *.raw UV chromatograms via Connect to

Support for hyphenated data involving Diode Array Detector (DAD)
"Connect To"