ACD/Spectrus Processor 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
- Process and interpret data from a variety of optical techniques including:
- Absorption
- Reflectance
- Fluorescence
- Phosphorescence spectra
- Circular dichroism (CD)
- Spectroscopic ellipsometry
- Automate repetitious processing tasks with macro commands which can be applied to a spectral series as well as to a single spectrum
- Attach chemical structures to analytical spectra; and assign peaks to chemical structural fragments, or directly to entries in the knowledgebase when a structure
is not available
Structure Verification
Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations.
Spectral Library Searching
Spectrus Processor provides powerful search and view access to analytical databases. Records are searchable by a variety of structural, spectral and text-based parameters,
and search results are overlaid on the query spectrum with color highlighting of matching signals for easy interpretation. For in-house databases, Spectrus Processor offers
corporate knowledge-sharing by extending these capabilities with the ability to re-process and re-interpret the data to help answer new questions.
Learn more
A number of content databases are included with Spectrus Processor, 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.
- Import IR and Raman data for all major instrument formats (Bruker, Nicolet, PE, JCAMP, SPC, etc.)
- Manually process spectra (peak picking, smoothing, baseline, subtraction, etc.)
- Attach chemical structures to optical spectra and obtain assistance on the spectrum/structure correlations of functional groups
- Electronically assign spectrum/structure correlations between peaks and a structure for reporting purposes
- Save functional group assignments with the spectrum for future reference
- Automatically verify the correspondence between your proposed structure and spectrum
- Automatically peak picks in spectra upon import for quick review
- Compare a series of related spectra to monitor the progress of your reaction
- Perform spectral based searches on an ACD/Labs or other database
- Quickly create reports displaying key elements of your analysis
| Vendor |
Data Format |
File Format |
Comments |
| 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 |
|
| Millennium 32 |
|
"Connect to" ability available |
† Diode Array Detector (DAD) support for hyphenated data.
See supported data formats across all techniques.
Techniques Included in ACD/Spectrus Processor