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NMRnotebook Changelog

What's new in NMRnotebook 2.70 Build 0.9

Oct 5, 2012
  • New Features:
  • The company Logo has been added in the top right corner of the graphical interface.
  • In DOSY processing window, Automatic FT size is selected by default.
  • The default F2 size (horizontal axis) for DOSY experiment processing has been changed.
  • When processing a non-DOSY experiment, if you choose an automatic processing (by clicking ont the gear box button, or by letting the default size option), some level of zero-filling is automatically applied to the F2 axis in order to produce an optimum shape for 2D lines.
  • With version 2.7 this behavior has been extended to the automatic processing of the F2 axis of DOSY experiments.
  • Previous to version 2.7, in the processing of F2 axis of DOSY experiment , this zerofilling was not performed automatically, thus leading to possible distortions in certain spectra. This was done in the purpose of reducing a little the DOSY processing burden, because the number of points in F2 has also a direct impact of the DOSY processing time.
  • With the development of faster computers, and the introduction of the RDC software solution, we felt that this trade-off was not required any-more.
  • If you experiment a lengthening of DOSY processing time, and wish to go back to the previous setting, simply open the "DOSY F2 processing" dialog biox, select the "Spectral Analysis" page, and check the "custom FT size" box, then select the required F2 size (the previous version was producing spectra usually twice as small as this new release)
  • In the DOSY processing Skyline and Mean projections are calculated by default.
  • Bug fixed:
  • When phasing a 2D spectra, the representation stays in contours instead of bitmap as it used to be.
  • The MACROS menu is fully operational on MacOsX 10.6. No more selection problem.
  • Better communication between mathematical kernel and graphical interface. Dmin, Dmax, Dfactor values are
  • available from the Console (get_dmin(), get_dmax(), get_dfactor()).
  • When exporting a file in Gifa format all important parameters are copied (offset...).
  • The last tooltips that were missing in the processing window have been replugged.
  • The Capital T (in the processing window) have been replaced with small ones.
  • The isometric mode is no longer selected by default for 2Ds.
  • Integrals created on a diffusion axis have now reasonable width.
  • In DOSY processing window the default values are calculated according to the gradient table.
  • Some nucleus have been added in the DOSY processing window : 7Li, 11B and 23Na. 17O have been removed from the list.

New in NMRnotebook 2.60 Build 0.2 (May 28, 2010)

  • New features:
  • "Macros" Several macros were developped which perform new functionalities:
  • Build Pseudo 2D from disk: build a pseudo 2D by collecting a serie of 1D data which are imported from the current notebook.
  • Build Pseudo 2D from nnb: build a pseudo 2D by collecting a serie of 1D data which are imported from a directory.
  • Extract 2D: extracts a sub-matrix out of the current 2D matrix, and make a new 2D out of it. User defines the desired zone by drawing a rectangle.
  • Integral 2D: integration can be done on several zones. User defines the desired zones by drawing rectangles.
  • Integral 1D: integration is done with user defined values (position and width). A useful tool for the quantification.
  • MultiIntegral 1D: existing integrals in a 1D spectrum are propagated on other available spectra in the current notebook. A useful tool for the quantification.
  • MultiPeak 1D: performs a peak-picking on a series of 1D spectra contained in a 2D spectrum. User defines the desired zone by drawing a rectangle.
  • List Parameters: displays in a dialog box a list of parameters (such as frequency, NS, ...), for each data of the current notebook. This list is also saved into an XLS file.
  • DosytoMW: performs the MW calculation from diffusion coefficients. Draw a horizontal line for each molecule you want to analyse, plus one line for the reference molecule.
  • Dosyto1D: 1D spectra are extracted from the dosy spectrum. Draw a horizontal line for each species to be analysed.
  • Other new features:
  • 'NNB_lib.py': a library for NMRnotebook utilities is available. On Windows systems, this file is found in "C:\Program File\NMRnotebook"
  • Our software works has been validated on Windows 7 Ultimate.
  • The dosy processing is fully documented. http://www.nmrtec.com/nnbdoc/thedoc.html See section: Reference Manual/User interface/Menu Bar/Dosy.
  • Bug fixed
  • Normalisation constant (Bruker: NC and NC_proc) is now taken into account when data are imported.
  • Data acquired with a nonstandard DOSY pulse sequence is recognized as DOSY data.
  • 'NNBMACROS' directory: hidden files are not shown anymore in the menu 'Macros'.
  • Importing data. Data acquired with a number of points (TD) which is different to a multiple of 256, are now correctly imported.
  • Importing data. Data acquired with 'TopSpin 2.1pl3' are now correctly imported.
  • Many other small bugs fixed