Process, Interpret, Analyze and Review Optical Data with ACD/ChemAnalytical Workbook
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ACD/ChemAnalytical Workbook: Optical Functionality

  • Attach chemical structures to a variety of optical spectra and assign peaks to specific fragments

    Attach chemical structures to a variety of optical spectra and assign peaks to specific fragments

  • Compare series of optical spectra via easy-to-interpret overlaid views

    Compare series of optical spectra via easy-to-interpret overlaid views

  • View database search results directly within the processing window for straightforward comparison

    View database search results directly within the processing window for straightforward comparison

ACD/ChemAnalytical Workbook is a multi-technique analytical data processing and interpretation application that provides a number of capabilities specific to those working with Raman; near, far, and mid-IR; UV-Vis; and other optical techniques.

Processing & Interpretation

Structure Verification

Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations.

Spectral Library Searching

ChemAnalytical Workbook provides powerful database creation and searching capabilities. Store experimental records that include all relevant analytical data, and are searchable by a variety of structural, spectral and text-based parameters. For in-house databases, ChemAnalytical Workbook offers corporate knowledge-sharing by providing the ability to re-process and re-interpret data to help answer new questions.

A number of content databases are included with ChemAnalytical Workbook, allowing you to test the database searching and viewing capabilities:

Database Spectra
IR Assigned Polymers.nd9 87 spectra with partial spectrum-structure assignments
IRDEMO.nd9 14 spectra with partial spectrum-structure assignments
ST Japan IR Demo library
(STJatrdem.nd9)
100 spectra (82 with structures)
Raman Assigned Amino Acids.nd9 27 spectra (approx. 1700 cm-1 to 80 cm-1) with partial spectrum-structure assignments (21 with structures)

See the full listing of Infrared and Raman reference spectra databases from ACD/Labs.

Complete list of supported file formats for all products.


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
Millennium32 "Connect to" ability available

Diode Array Detector (DAD) support for hyphenated data.

List of Features