What's New in ACD/Method Selection Suite

Version 2019

As of v2019 ACD/Spectrus is compiled in a 64-bit architecture allowing the software to take greater advantage of system resources.

Data Import

We continue to improve and support all major instrument vendor data formats. This version includes enhancements to the following:

• Improved support for processed data from Empower™ (Waters™), Chromeleon™ and Atlas™ (Thermo Scientific™) CDSs
• Import processed data from Chromeleon chromatography data systems (CDS) via a new add-on
• Improved support of Shimadzu data
• Read 'Extended Statistics' metadata for Waters MassLynx™
• Support for JEOL Delta™ DOSY data
• Improved support for MAGRITEK® data
• Support for Q.OneTec data
• Improved import/export options for JCAMP files
• Full support for 1D NOESY and ROESY datasets and improved import defaults for 2D NOESY and ROESY spectra
• Basic support for NOAH experiments

Method Optimization—Solvents

• Easily view the identities and proportions of all solvent constituents (i.e., acetonitrile, methanol, isopropyl alcohol) in mobile phase solvents S1, S2, and S3, now explicitly stated in the Table of Methods

• Choose between two optimization models—"Spline", or the newly added "Approximation" model—based on whether a given separation uses 3 or 2 basic solvents, respectively

• Perform two-dimensional optimization of Gradient (%B) and Solvent Ratio (i.e., optimize Gradient and Solvent Ratio simultaneously)

Ease of Use

• Import rider peaks from Thermo Scientific Chromeleon and Atlas platforms

Technique-Specific Features

Method Selection Suite contains spectral processing capabilities for a variety of spectroscopic techniques.

• Processing and Analysis of LC/MS data with Method Selection Suite

  Data Analysis

  • Independent control of chromatograms in hyphenated (LC/MS) datasets
  
  • Greater flexibility in data analysis and annotation of MSn spectra through independent control of individual spectral panes (undock MSn spectra as individual panes)
  
  • MSn component spectra are created automatically when a chemical structure is manually assigned to a component
  • Automatically calculate relative retention times
  

  Data Display

  • Undock MSn spectral panes for flexible visualization and review

• Processing and Analysis of NMR data with Method Selection Suite

  Data Analysis

  • Streamline the analysis of mixtures by applying Targeted Profiling to 1D spectra of samples with known composition and variable concentrations of components
  
  • Structure Aware Analysis now supports automatic peak picking in ¹³C spectra of compounds containing ³¹P, as well as ¹⁹F atoms
  • Easily import and use corresponding *.spectrus files as 1D projections for your 2D spectra
  • Display a larger dynamic range to accommodate newer instruments
  • 'Known Structures Search' results from PubChem databases now display IUPAC names

  Ease of Use

  • More options for controlling the offsets for data series
  • Choose to display/hide the axis label for 1D spectra
  • Directly calculate the HSQC-DEPT from the structural window
  • Accommodation of large datasets (limited only by the user's Windows OS version)

Many other improvements have also been made to the software. Contact us below to learn more and to discuss updating your software installation.