.. raw:: html SPIKE Relase Notes ================== *if you need the latest version, get Spike from github* *then to make available to you system,* do > cd spike > python setup.py devel 0.99.33 - October 2023 - not released yet ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - Interactive: - NMR - improved 1D integration - improved the Show2D() tool, and added local projections - in Interactive, added AQ in the parameter list - MS: corrected a bug in pk2pandas() in 2D FTICR which was crashing the action. - NMR: corrected a logic bug in BrukerNMR importer which triggered when importing data with several expno - NMR: modified the File.BrukerNMR.Export_dif to correctly export fid - corrected a subtil bug which always removed the right most point in display() and extract() - corrected a bug in noise computation which was crashing baseline correction sometimes (and elsewhere) - many small corrections due to warnings and deprecations in particular in numpy 0.99.32 - March 2023 ^^^^^^^^^^^^^^^^^^^^ - Interactive: - NMR and MS: example interactive notebooks have been extended, cleaned up and fully checked - better 2D display - added documentation - NMR: - ProcDOSY.ipynb rewritten - ReadSMX.ipynb to import TopSpin processed file into Spike - SNR evaluation in Proc1D.ipynb - added choice of projection in 2D graphics - baseline correction is now fully functional - updated the plugin mechanism - the previous system was incompatible with the coming python 3.12 - requires python >= 3.5 - should not change anything to your set-up - added Algo.Linepredic.baselinerollrem() to remove baseline roll using Linear Prediction - extended real2cpx() to 2D operations (was only 1D) - NMR: improved importing processed DOSY (PALMA plugin) - corrected cyclic import in PALMA - NMR: in BrukerSMX.py corrected for a warning signaling an upcoming obsolence 0.99.31 - Nov 2022 ^^^^^^^^^^^^^^^^^^ - NMR:improvements in spike Interactive - on spectral superposition - improved import/export of peak and integral lists, as csv files - added BrukerNMR.Export_fid (1D) - improvements in automatic baseline correction - improved apodisation functions - MS: added the kilgour() apodisation, from Kilgour et al DOI:10.1002/rcm.7190 handy for phased FTICR-MS data - all: added the ``maxi`` parameter for hamming(), hanning(), and kaiser() which becomes a versatile and generalized apodisation *( was already available for apod_sin() and apod_sq_sin() )* - NMR: normalized gaussenh() (which was not !) - adapted to python 3.10 - cleaned the code (better grade in QC!) - **a problem with multiprocessing crashing (core dump!) on my system, still investigating** - corrected a bug in baseline correction, and improved interface - NMR: Corrected a bug when importing DOSY from TopSpin 0.99.30 - April 2022 ^^^^^^^^^^^^^^^^^^^^ - spike Interactive NMR - modified SHOW1D to handle the move tool - modified selection to right-click (in phaser, peakpicker, baseline) - display of some acquisition parameters - in 1D, corrected errors in managing peaks and calibration - better handling of baseline corrections, phasing and better graphics - dated figure dump - corrected displaying integrals - improvement in object hierarchy - added yratio to SHOW1D, and allow a better zoom experience - General - adapted to matplotlib 3.5 / python 3.9 - improved BrukerNMR.import1D_proc to handle different binary options - added yratio to npk.display() - rowc() and colc() method get rows and columns in 2D using current unit instead of index (I don’t know why this was not done earlier…) - added the itoix() ixtoi() ctoix() ixtoc() to access datapoint in complex coordinates - added a method Peaks.Peaklist1D.pkadd() to add a peak list to an existing one - added a method Peaks.Peaklist1D.pkaggreg(distance) to aggregate close peaks - marker “None” in peak display - moved config into $(HOME)/.config/Spike - corrected a bug when reading old Gifafile where diffusion is not defined in the header 0.99.29 - Sept 2021 ^^^^^^^^^^^^^^^^^^^ - spike Interactive FTICR - not tested yet - - spike Interactive NMR - **Phaser2D does not work yet** - improved the quality of 2D display (smoother interaction, better scale selection) - corrected a bug introduced in previous version for displaying 2D in notebooks - General: hilbert() ihilbert() and real2cpx() basic transforms *(were already there, but not isolated as now, should have been done long ago)* - added a “None” mode in displaying peaks 0.99.28 - Aug 2021 ^^^^^^^^^^^^^^^^^^ - spike Interactive NMR - interactive phasing is now much smoother and faster - added superimposition of spectra in Proc1DNMR - other will be adapted - adapted and optimized display in the notebook and in the core code - General: - added a disp_artist field in NPKData which contains the last matplotlib artist generated by display() 0.99.27 - July 2021 ^^^^^^^^^^^^^^^^^^^ - spike interactive in FTICR - many improvements - isotopic pattern simulation using imported ``isotope`` module (and fine isotopic as well - thanks to the excellent prgm neutronstar !) - processing of narrowband acquisition is correct now - better calibration - (still in progress) - superimposition of spectra should work now .. _july-2021-1: 0.99.26 - July 2021 ^^^^^^^^^^^^^^^^^^^ - FT-ICR: - added support for NarrowBand FTICR acqusition - first steps, need to be completed - General - new command zero_dsp() and rem_dsp() to zero or remove the FID header created by the DSP. - bug corrections in the 2D peak centroid and display 0.99.25 - June 2021 ^^^^^^^^^^^^^^^^^^^ *0.99.24 was short lived, because additional bugs, introduced in.22 were found and corrected* - correction for plugins not updated correctly in the pip distribution since 0.99.22, was making errors in interactive tools - corrected a bug when fitting peaks on a zoomed region - NMR: corrections in ``Proc1DNMR`` notebook in integration tool .. _june-2021-1: 0.99.24 - June 2021 ^^^^^^^^^^^^^^^^^^^ - added a ``maxdist`` flag in the peak aggregator in plugins.Peaks (default to 10*distance) - NMR: corrected a bug introduced in 0.99.22 in the interactive phasing when moving the pivot 0.99.23 - May 2021 ^^^^^^^^^^^^^^^^^^ - MS: first interactive notebook for phasing of FTICR-MS spectra - still a bit rough - NMR: slight improvements in apmin() (automatic phaser) better search algorithm - slight improvements in bcorr() (baseline correction), when working on complex spectra - The logo shows up when loading interactive notebooks - and also a nicer set-up - new doc is still in development and missing, sorry (phasing is keeping me busy) 0.99.22 - April 2021 - not released on pypi - ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - change in the plugin set up, there can now be distributed in several directories (in that order) - ``(distrib dir)/spike/plugins`` - basic plugins allways loaded - ``$HOME/spike/plugins`` - plugins specific to the user allways loaded - ``(distrib dir)/spike/plugins/NMR`` - plugins specific to NMR, loaded with ``import spike.NMR`` - ``(distrib dir)/spike/plugins/MS`` - plugins specific to MS, loaded with ``import spike.FTMS`` - and as before, plugins with a name starting with a ``_`` are not loaded - MS: new ``PhaseMS`` plugin, which implements quadratic phase correction and permits to phase FTICR spectra - a .tm() apodisation (trapeze) which emulates D.Kilgour apodisation for phase sensitive FTICR-MS - rewrote and reorganized README and documentation 0.99.21 - Feb 2021 ^^^^^^^^^^^^^^^^^^ - MS: - plugin which implements .diagonal() for computing the diagonal of 2D FTICR spectra - changed the logic to generate downsampled 2D FTICR spectra - smaller files, smaller vignettes - correction when reading Apex MS dataset for pulse frequency limits - thanks to Maria van Agthoven - correction ThermoFisher/Orbitrap import code - thanks to Will Kew - small correction in urQRd - thanks to Will Kew - small corrections when opening files - many small bugs corrected 0.99.20 - Nov 2020 ^^^^^^^^^^^^^^^^^^ - MS: corrected a bad bug which corrupted F1 calibration when loading a 2D-FTICRMS experiment this bug was introduced in the 0.99.14 release but was not detected at that time 0.99.19 - May 2020 ^^^^^^^^^^^^^^^^^^ - NMR: corrected a bug in BrukerNMR importer… 0.99.17 - April 2020 ^^^^^^^^^^^^^^^^^^^^ - MS: corrected a bug in BrukerMS importer… .. _april-2020-1: 0.99.16 - April 2020 ^^^^^^^^^^^^^^^^^^^^ - MS a new Apex0 bruker importer - to access old datasets, with the “NMR” setup (acqus pdata …) - MS a global BrukerMS importer - Import1D - Import2D - a few corrected bugs 0.99.15 - March 2020 ^^^^^^^^^^^^^^^^^^^^ This release introduces a major modification in the organisation of the ``NPKData`` object - which is the central object on which everything is organized. *Previously* ``NPKData.NPKData`` was the standard class, which created NMR object, and other classes (such as ``FTICR.FTICRData`` or ``Orbitrap.OrbiData``) inherited from this class and had to overloaded a few things. ``NPKData`` held also all ``Axis`` definition, both generic and for NMR. *Now*, - ``NPKData._NPKData`` is a generic object - agnostic about the spectroscopy - ``NPKData`` holds also the definitions of generic Axes ( ``Axis`` but also ``TimeAxis`` and ``LaplaceAxis``) - ``NMR.NMRData`` is the new class for NMR data-sets, ``NMR`` also contains the definitions for all NMR related Axes. - ``FTICR.FTICRData`` and ``Orbitrap.OrbiData`` now inherit from the ``_NPKData`` class (through ``FTMS``). In consequence, to create an NMR dataset from scratch, now do: :: NMR.NMRData(...) where you were using ``NPKData.NPKData`` previously and do :: NPKData._NPKData(...) to create an empty dataset not associated to any spectroscopy *This should have been done long ago - but I’m so lazy…* **Other modifications** - This set-up allows to better adapt compound experiments (LC-NMR LC-MS …) - jupytext extension was added to jupyter Notebooks - means that a python copy is maintained - only this copy is version controlled - still improvements in notebooks - - NMR: improvement in the SpinIt importer - MS: added a Bo attribute - added the NbMaxPeaks flag in Peak display - added the self.kind attribute in the Axis class - easier to use than self.NMR ! - small bugs corrections - adding a complex value to a complex datasets was wrong in complex mode. - tests in python 2.7 are abandoned - but very few python 3 features are really used… - REMARK, it was always mentionned that version 1.0 would be rolled out when interactive functions in notebooks would be really usefull. It will be the next big release probably ! 0.99.14 - October 2019 - not released on pypi - ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - NMR: lots of improvements in Proc1DNMR notebooks - improvements in NoteBook for mouse interactivity (click and scroll) - requires the additional ipympl module .. _october-2019---not-released-on-pypi---1: 0.99.13 - October 2019 - not released on pypi - ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - MS: added the EasyDisplayFTICR2D for non programers ! - improvements in NoteBook interactivity - added smoothing in spline baselinecorrection 0.99.12 - September 2019 ^^^^^^^^^^^^^^^^^^^^^^^^ The 0.99.11 had a bug in the display of 1D NMR experiment - the 0.99.12 corrects it. .. _september-2019-1: 0.99.11 - September 2019 ^^^^^^^^^^^^^^^^^^^^^^^^ - NMR: added a Notebook for processing of DOSY - many improvement in the interactive Notebooks, and in the interactive library (still work to do though) - added autpoints computation for spline baseline correction - corrected axis placement in spectral display (you should not have inverted axis anymore) - corrected a bug when computing projections 0.99.10 - August 2019 ^^^^^^^^^^^^^^^^^^^^^ - changed calibration in FTICR-MS - now should better correspond to Bruker, both for linear and quadratic - be carefull, the definitions are slightly modified, this should be taken into account when reading files, however you should verify the calibration stored into previous files - added Proc2DNMR Notebook - preliminary! - continued to improve other Notebooks - added skewness and kurtosis in bucket lists (optional) - improved Test suite (should mostly work under Windows now) - corrected peak-picker so that width is FWMH after centroid - added an option in Peaks.pk2pandas to output or not the uncertainties 0.99.9 - June 2019 ^^^^^^^^^^^^^^^^^^ - improved many aspect of the interactive Notebooks - improved Proc1DNMR Notebook - added peak-picker - added integration - added bucketing - Integrate: plugin for 1D NMR data integration - added peak lists export to pandas - added limit to the number of peak to be displayed on screen (default 1000) 0.99.8 - April 2019 ^^^^^^^^^^^^^^^^^^^ - corrects a BIG BUG which hampers the import of 1D NMR data-sets, .. _april-2019-1: 0.99.7 - April 2019 ^^^^^^^^^^^^^^^^^^^ **Please do not use,** see above - first version of Interactive Notebooks: - ProcessFTICR-MS - DisplayFTICR2D - Process1DNMR - The new BrukerMS importer tries Solarix importer and falls back to Apex importer if it fails - improved Interactive tools - improved FTICR importers to accept ``my_expt.d/fid`` as well as ``my_expt.d`` - improved peak-picker behavior - improved error messages in FTICR importers - cured a bug in Apex.Importxx for a special xml format .. _april-2019-2: 0.99.6 - April 2019 ^^^^^^^^^^^^^^^^^^^ - extended and improved tests - finalized installation through PYPI - support for distribution via pip - you can now do ``pip instal spike_py`` and spike installed globally on your system. - still struggling with correct calibration routines for FTICR ! - proceed carefully ! - - phase() speeded-up by a factor 20 ! - added a autothresh scaling to peakpicking (catching peaks “autothresh” times above the noise level - default is 3) - slight improvement of peak list reporting (additional key words: format=“report” and format=“full”) - a bug in extract of complex 1D data-sets was corrected - added the figure keyword to peaklist display 0.99.3 - March 2019 ^^^^^^^^^^^^^^^^^^^ - Development of Interactive tools, to be used within Jupyter - *should be extended in further releases* - - a tool for displaying multiresolution 2D FT-ICR-MS data-sets - simple interface in Jupyter for 1D NMR - (that part is not tested in python 2) - added the setup.py prgm, SPIKE is now a regular installable program - still working on it ! - - ``scale="auto"`` in 2D display, choose a level ``autoscalethresh`` (default is 3) times above the noise floor. - added ``gaussenh`` apodisation plugin for one-command gaussian enhancement. - improved display of FTMS spectra - improved ``findnoiselevel`` and ``findnoiselevel_2D`` - modified ``absmax`` in NPKData - now a property - added phase parameters to NMRAxis: ``.P0`` and ``.P1`` - removed the old Visu2D program - use the jupyter notebook rather ! 0.99.2 - January 2019 ^^^^^^^^^^^^^^^^^^^^^ - added number of local peaks in bucketing - improved Bruker importer and added support for NEO/TopSpin 4.0 files - improved the ``.set_unit()`` method - improved importing DOSY processed with TopSpin - corrected a bug for min value in bucketing - changed pylint/QC defaults -> new values (and corrected a bad bug) - cleaned the code a little 0.99.1 - November 2018 ^^^^^^^^^^^^^^^^^^^^^^ - added the sane algorithm - added the pg-sane algorithm - added the ``NPKData.set_unit(unit)`` method for pipelining - added the ``NPKData.load_sampling(axis)`` method for pipelining - improved spinit support - corrected a few bugs - ``NPKData.save_csv()`` now works in python 3 - ``NPKData.copy()`` is now more robust 0.99 - April 2018 - temp release branch ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ We have been developping a lot this last year, and published quite a few results. The program is now quite stable in most of its features. Additions and improvements were added to the repository in the ``devel`` branch, however we neglected updating the more official ``default`` branch. This release is an effort to bring everything into normal mode, and hopefully, preparing a 1.0 version ! New in 0.99: - SPIKE is now fully compatible with python 2 AND python 3 - added the SANE noise denoising algorithm and plugin. - an improvement to urQRd - more faithfull to small signal intensity - slightly different optimum parameters (optimal rank slightly smaller, less iterations needed) - added the handling of NUS 2D FTICR acquisition - added the PALMA DOSY processing algo and plugin (NMR). - added a Linear Prediction plugin - added the first trial for a m/z calibration plugin (MS) - added import from SpinIt (NMR) - added a primitive set of interactive tools to be used in Jupyter notebooks ( ``INTER.py`` ) - added the possibility to pass a complete dictionary to matplotlib in the .display() method - added the .center() method for NPKData - added a plugin implementing a subset of Topspin commands: xf1, xf2, xfb. (NMR) - added an line fitter, still very exploratory, only 1D Lorentzian for the moment - added more controls on plots (new_fig and mpldic arguments of ``.display()`` ) - added a Spinit importer (preliminary) (NMR) - added a compress mode in Solarix importer (MS) - added new automatic tests - improved and extended the Bucketing plugin, with extended features - improved the baseline correction code - improved import/export to Topspin/Bruker NMR files - improved automatic phaser ``.apmin()`` (NMR) - improved the plugin mechanism - with added documentation - corrected the extract() method which was broken - corrected a bug when importing Topspin/Bruker NMR datasets, where $NC was not used. (NMR) - corrected a bug and improved 3 parameters FT-ICR calibration (MS) - corrected the extract function for NPKData - corrected a bug with contour plots and matplotlib version > 1.5.0 - modified (improved?) plugin loading code, with additional plugin documentation - modified the way None values are stored into hdf5 files - modified ``.extract()`` code to work in current axis unit - modified ``.mean()`` to return complex value is axis is complex - improved python 3 compatibility. It is not finished yet, but most of the program is python 2/python 3 independent, some parts are still missing, - known bugs - ``NPKData.extract()`` method not fully tested - ``NPKData.save_csv()`` is buggy in python 3 0.9 - 8 sept 2016 ^^^^^^^^^^^^^^^^^ *never reached the normal distribution - doc partly redundant with 0.8.3* - added a baseline correction plugins, already quite developed, with 3 different methods - added an automatic phasing plugin, ``.apmin()`` still exploratory (NMR) - added a wavelet filtering plugin (requires the PyWavelet library) - added a 3D zoom plugin (requires the Mayavi library) - added export to Topspin/Bruker files, and added import of processed Topspin files (NMR) - added the upgrade of files from previous version - added the ``d.axis?.cpxsize`` : the size of an axis expressed in spectroscopic points (real of complex) different from ``d.axis?.size`` which is the size of an axis expressed in data points so - ``d.axis?.cpxsize == d.axis?.size`` is axis is real - ``d.axis?.cpxsize == d.axis?.size/2`` is axis is complex - improved the Peak-Picker (mostly the output capabilities) - improved processing.py for nicer spectra, and possibly faster processing (MS) - improved visu2D.py, for a greater stability and improved selection syntax - corrected a bug in ``.conv_n_p()`` (NMR) - and many small bugs as well 0.8.3 - April 2016 ^^^^^^^^^^^^^^^^^^ - ALL spectro. - added a new ``cpxsize`` property, associated to axes and dataset, which counts complex and real entries - added: display and peak display now accept a color and markersize arguments - improved plugins, plugins with a filename starting with \_ do not load - improved: automatic baseline correction algorithms have been improved ( ``Algo/BC.py`` ) - ``finnoiselevel()`` set of functions has been rewritten ( ``util/signal_tools.py`` ) - standard test now includes testing for ``multiprocessing`` - *DOES NOT WORK ON ALL DISTRIBUTION* if it is your case, set ``use_multiprocessing = False`` in test.mscf - NMR - added: BrukerNMR now imports TopSpin processed dataset (1r, 2rr) - improved: and corrected Laplace axes - for a new DOSY module to come… - corrected: conv_n_p() was wrong and has been corrected - corrected: ``gm_apod()`` was wrong and has been corrected\_ - corrected: an error in GifaFile access under Windows - MS - processing.py (2D FTMS) now includes parallel processing in F2 (helping in certain cases) - and gives sharper lineshape thanks to kaiser() apodisation - files from the previous program version (0.7.x) can now be upgraded and read. just do ``python -m spike.File.HDF5File update your_file.msh5`` - improved ``.report()`` for FTMS datasets 0.8.2 - 2 Feb 2016 ^^^^^^^^^^^^^^^^^^ - corrected a bug in processing when running under MPI parallel - added warning in set_col() and set_row() if type do not match. - starting to work on the documentation 0.8.1 - 24 Jan 2016 ^^^^^^^^^^^^^^^^^^^ - corrected a bug for Orbitrap related to offsetfreq. .. _jan-2016-1: 0.8.0 - 23 Jan 2016 ^^^^^^^^^^^^^^^^^^^ - first clean version using the new HDF5 file set-up **WARNING** - HDF5 files created with this version cannot be read with previous versions - HDF5 files created with previous versions cannot be read with this version - this should be fixed later - File now contains acquisition parameters files in the attached hdf5 sub-group - datasets now carry store and retrieve the parmeters imported from manufacturers file in d.params - improved FTMS calibration using 1, 2, and 3 parameters calibration : calibA calibB calibC, retrieve by Import from experimental file - improved FTMS Hz unit, added the d.axis.offsetfreq parameter - corrected fine details of F1 demodulation and added the parameter freq_f1demodu - unittests extended, in particular in visu2D - Starting with this version - a stable version will be maintained, downloadable as a zip file in the download page https://bitbucket.org/delsuc/spike/downloads - Two developpement branches will be used, the ``default`` for the stable version - improved for bugs, and the ``devel`` branche, used for developping the new features. .. _jan-2016-2: 0.7.1 - 5 Jan 2016 ^^^^^^^^^^^^^^^^^^ - greatly improved internal compression of msh5 files and speed of processing.py - many small corrections and bug fixes. 0.7.0 - November 2015 ^^^^^^^^^^^^^^^^^^^^^ - a plugin mechanism has been created which allows to add very simply new features to the program - most new features are implemented through this mechanism - the organisation of the spectral axes has been complete modified, with the introduction of a Unit class - each axis holds its own series of possible units (called .units) - and the current unit used for display and selection - many commands now have a zoom= ketword that works in the current unit - additionnaly, there are itoc and ctoi unit converters - Thanks to this, NMR data-sets are now correctly handled, DOSY are still in progress and should come soon - addtionnaly a plugin for Bruker NMR processing is now implemented - A complete 1D and 2D peak-picker is now implemented, with many controls and features - New baseline correction algo have been implemented - the sane algorithm, which is an evolution from urQrd has been separated from urQRd, so both algo can now be used independently - Tests have been reorganized and improved - Importers have been extended - parameters are now brought back to the user - many others 0.6.4 - march 2015 ^^^^^^^^^^^^^^^^^^ - added Bruker NMR import - clean-up of the module, still going on - Tests improved .. _march-2015-1: 0.6.3 - march 2015 ^^^^^^^^^^^^^^^^^^ - first installeable release 0.6.0 - dec 2014 ^^^^^^^^^^^^^^^^ - Fork to SPIKE - Large improvements of the display program, renamed visu2D - Corrected a bug in the hypercomplex modulus, resulting in splitting in 2D-FT-ICR - many improvements everywhere 0.5.1 - 26 mar 2014 ^^^^^^^^^^^^^^^^^^^ - processing2.py renamed to processing.py with added features - urQRd - source code reorganized by folders .. _mar-2014-1: 0.5.0 - 24 mar 2014 ^^^^^^^^^^^^^^^^^^^ - starting new devl effort - published ! version of urQRd 0.4.1 - 27 Sep 2012 ^^^^^^^^^^^^^^^^^^^ - final (?) version of urQRd - added data arithmetic - many other optimisation 0.4.0 - 20 apr 2012 - ^^^^^^^^^^^^^^^^^^^^^ new version processing2.py (temporary name) this one - processing is performed in steps, F2 from infile to interfile (intermediate file) and F1 from interfile to outfile - steps are optionnal, F2 or F1 can be performed alone - allowing denoising on the interfile - processing is faster and mpi enabled - speed-up are better for very large files - has a better way of computing the smaller spectra - done by downsampling - faster and nicer - vignette is now 1024x1024 - can be changed using SIZEMIN in config file 0.3.11 - 29 mar 2012 ^^^^^^^^^^^^^^^^^^^^ Small tools have been added to modify configuration files and to mix processing.py and ipython visualisation 0.3.10 - 22 jan 2012 ^^^^^^^^^^^^^^^^^^^^ processing is now (hopefully) bug free and RAPID ! .. _jan-2012-1: 0.3.9 - 18 jan 2012 ^^^^^^^^^^^^^^^^^^^ fticrvisu.py, processing working, getting all parameters correctly from FTICRData and Apex .. _jan-2012-2: 0.3.8 - 13 jan 2012 ^^^^^^^^^^^^^^^^^^^ fticrvisu.py, processing working, corrected after Marie came 0.3.7 - 12 dec 2011 ^^^^^^^^^^^^^^^^^^^ correction of Gifa file bug, bug in Apex for narrow band data-sets, changes in msh5 file format 0.3.6 ^^^^^ 3 Oct 2011 - added HDF5 file format (.msh5), multiresolution files, configuration files (.mscf), fticrvisu .. _section-1: 0.3.5 ^^^^^ 5 Sept 2011 - added cadzow in MPI / savitsky-golay / HDF5 still in progress .. _section-2: 0.3.4 ^^^^^ 26 July 2011 - added autotests / savehdf5 first version .. _section-3: 0.3.3 ^^^^^ 12 July 2011 - first reliable/taged FTICR version