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GSim - tool for NMR spectroscopy / News: Recent posts

GSim 0.20.0 released

This is a bug fix release with some improvements:

* Processing function autoBruker checks value of GRPDLY before
trying to compute the group delay. This should improve import
of Bruker FID from recent spectrometers

* It's possible to set slope and tilt for integral curves using
'adjust integrals' dialog

* Debian package available. Created on Ubuntu 11.

* Improvements in deconvolution routine: the value in the tables
with deconvolution model can be changed rotating the mouse
wheel. A column with integral values is added to the table
with line parameters. ... read more

Posted by Vadim 2011-05-24

GSim 0.19.0 released

GSim 0.19.0 released.

New features:

* Echo-antiecho processing (experimental support)

* Coloured contours for 2D contour plots can be toggled by 'C' key.

* A 'legend' with contours numerical values can be displayed for 2D plots

* Y-axis label can be drawn on the left or on the right of the axis

* Improvements in the reading routine for CASTEP-generated .magres files

* The axis for FID display got new units: "points"... read more

Posted by Vadim 2010-02-15

GSim 0.17.3 released


What's new in this version:

* More robust "add spectra" routine adds spectra with different offsets, spectral widths or resolutions.

* Baseline correction can use Fourier and Bernstein series in addition to polynomials.

* Font, used in the plots can be altered via "View->Options->Axis" menu.... read more

Posted by Vadim 2008-03-20

GSim 0.17.2 released

What's new in this version:

* Projection area on 2D plot can contain skylines as an alternative to sums.

* Several improvements in visual representation of 1D spectra.

* Integrals can be deleted one by one.

* 'Sinebell' and 'Square Sinebell' apodization functions

* Several bug fixes. The most important fixes: automatic baseline correction should work now for most conventional spectra. Spectrum width should be read correctly from most Bruker .1r files.

Posted by Vadim 2008-02-08

GSim 0.17.1 released

What's new in this version:

* New functions for Array Manager:
*"New Array" creates a new array with given length;
* more comprehensive report after fitting including the results from both, simplex and MnGrad optimisations;
* "Copy plot" and "Export plot as vector graphics" allow export of the fitting plot as graphics.

* Migrated to new MinUIT2 library. This library is not compatible with old MinUIT and therefore you should install it if you want to compile GSim from a scratch.... read more

Posted by Vadim 2007-12-20

GSim 0.17.0 released

What's new in this version:

* Advanced Array manager with ploting and fitting possibilities. Extended "Create array from spectrum" function. "File->create special->inverted" inverts array in the left column of the main table in Array Manager.

* Simple integration for 2D plots

* NMR data can have a link to an attached processing file. When user opens such dataset GSim can update processing table as stored in the processing file... read more

Posted by Vadim 2007-11-06

GSim 0.16.0 released

What's new in this version:

* Command line interface. Now you can type your processing command.

* Experimenatal output of the EMF vector graphics. EMF is a standard format for Windows and can be opened by almost every Windows application. However, the GSim implementation is not as complete as, for example, SVG output. Nevertheless it is a nice way to transfer an 'editable' plot directly to, say 'PowerPoint' where it can be edited further.... read more

Posted by Vadim 2007-08-20

GSim 0.15.0 released

What's new in this version:

* Multi-windowed mode has been introduced. That required a substantial changes in the code. Some related bugs still possible.

* 'Reload&process' button reloads selected datasets and process them by single shot

* Improvement in integration routine: integral curves for 1D data can be arbitrary shifted/scaled

* Custom print logo in SVG format can be specified

* New 'Smart sideviews' mode for 2D spectra allow to see interactively slices or projections ... read more

Posted by Vadim 2007-07-03

GSim 0.14.0 released

What's new in this version:

* New MATLAB file filter which saves practically everything and thereofore can be used as a native fileformat for GSim. Compilation of this version of GSim can require a new version of libcmatrix.

* New interface for pNMRsim simulation package. Currently in beta state, it will be a base for complex fitting procedure. Fitting of solid-state CSA patterns, quadrupolar lineshape etc. should be feasible.... read more

Posted by Vadim 2007-05-10

GSim 0.12.0 released

What's new in this version:

The user interface has been changed significantly. Below are the highlights:

* More customisable interface: tools are grouped in very flexible side panels.

* Support for the multiple selection in the 'Files' panel. Several datasets can be moved/scaled or even processed just by one mouse click.

* New plot toolbar accomodate previously static buttons. New customisable processing toolbar can accomodate links to the most used processing functions.... read more

Posted by Vadim 2007-03-02

GSim 0.11.1 released (re-submitted)

Somehow this news has got missed:

What is new:

* Bug fixes and minor improvements

* A couple of new experimental features: hypercomplex data support for 2D processing
and Lorentzian/Gaussian mixing using convolution in Deconvolution procedure.

* Experimental binary distribution for Linux (file gsim-0.11.1.gz). It is a simple
binary file compiled on Fedora Core 5. All exotic libraries (including Qt 4) are
compiled statically. Ought to work on majority of recent Linux machines. ... read more

Posted by Vadim 2007-02-04

GSim 0.11.0 released

GSim 0.11.0

What's new in this version:

* The main changes include a new interactive mode for the plots (Edit/select graphic object).
It allows interactive operations on graphic objects similar to vector graphics editors.
In addition to text labels and lines a bitmap image object has been introduced. Image can
be loaded from the disk in one of the supported graphic formats. A plot screenshot can be
inserted as an inset to the plot.... read more

Posted by Vadim 2006-11-30

GSim 0.10.1 released

* Bug fix release

* Several minor improvements including 'Edit->Data' menu, handling of the axis units and SVG output

* Don't forget to send me your feedbacks - this is the only
way to improve GSim.

Posted by Vadim 2006-10-31

GSim 0.10.0 released

What's new in this version:


* New menu "Process" provides easy access to all available processing functions. Some processing functions have been revised to comply with this new feature.

* The file input/output architecture has been significantly revised. Whereas there is no new functionality, it should assist for further development. FTP module hardly fitted to the new architecture and was rather buggy – it has been removed from the program. Any modern file/internet browser as Firefox or IE has a built-in FTP support and can be used as a substitution.... read more

Posted by Vadim 2006-10-05

GSim 0.9.0 released

GSim 0.9.0 has been released

What's new in this version:

* User can draw on plots using "draw text" and "draw line" functions
* "File Browser" is added. Improvements in Drag&Drop behaviour
* New "Options" dialog controls plots appearence
* Better printing and PDF output
* Clean-up in documentation
* Other minor improvements in drawing procedure
* Experimental function for processing MQ MAS data (in addition to "Shearing" function).
* A few bugs fixed, an unknown number's been added :-)
* Don't forget to send me your feedbacks - this is the only way to improve GSim.

Posted by Vadim 2006-08-22