ACD/2D NMR Manager

What's New

Version 6.0 to 7.0

Analysis

• Verify the accuracy of a proposed structure
  • Compare match factors for F1 and F2

Visualization

• Switch the ruler units for each dimension from the Status Bar
• Create a 2D spectrum from a set of chemical shifts and couplings
  • Visualize the data from a particular journal article
• Change the threshold with the mouse wheel
• Set the display mode for each dimension independently
  • View F1 or F2 in phase-sensitive, magnitude, or power mode
• Scale the 2D traces, projections, and sums independently

Processing

• Import and process LC-NMR data
  • Intelligent software detects LC domain and removes improper menu options
  • Phase correction and baseline correction will work in NMR dimension only
• Phase correction improved for weak signals
  • Traces selected for manual phasing are shown separately and at full-scale
  • Weak signals are no longer averaged out during summing procedure
• Inverse Fourier-Transform (FT) along F1 only or F1 and F2
• The Component Detection Algorithm (CODA) can remove F1-traces containing t1 noise
  • If the F1 noise traces do not contain signals
• Clean-up t1 noise by differential scaling of each trace along F1
  • Will work in more cases than CODA
• Suppress the diagonal in homonuclear experiments

Databasing

• Update the 1D HNMR or CNMR user database with assigned 2D spectra
  • Use your 2D data to improve the accuracy of the 1D prediction modules

Input/Output

• Support for MC2 parameter in Bruker 2D data sets
  • All types of Bruker datasets corresponding to the MC2 parameter (QF, QSEQ, TPPI, States, States-TPPI, and Echo-Antiecho) are now supported
  • Save the processing parameters for later use
• Save a spectrum as a text file
  • Export entire spectrum or table of peaks only
• Truncate rr, ri, ir, and ii quadrants to decrease file size
  • Decrease storage space requirements by 3 to 5 times

¹⁵N NMR

• Select from 4 standard reference compounds for ¹⁵N predictions