2010-11-04  Steffen Neumann  <sneumann@ipb-halle.de>
	* Corrected bug that leads to wrong monoisotopic masses for molecules 
	  containing elements where the most abundant isotope is not the first one,
	  discovered by Ralf Tautenhahn

2010-10-22  Steffen Neumann  <sneumann@ipb-halle.de>
	* R/elements.R: Added remaining elements to PSE,
	  contributed by Canteri Roberto (http://m2b2.fbk.eu/en/people)

2010-05-18  Steffen Neumann  <sneumann@ipb-halle.de>
	* added Runit test infrastructure

2010-04-02  Steffen Neumann	<sneumann@ipb-halle.de>
	* added Selenium to list of elements
	* added Cobalt to list of elements
	* fixed Selenium abundances and masses

2010-02-08  Steffen Neumann	<sneumann@ipb-halle.de>
	* added parameter maxisotopes to getMolecule() and decompose*()

2008-09-02  ckuhl	<ckuhl@ipb-halle.de>
	* R/elements.R: added Deuterium

2008-08-11  sneumann  <sneumann@ipb-halle.de>

	* R/elements.R (initializeCharges): added initializeCharges, which
	can be useful for getMolecule("H3O+", elements=c(initializeCHNOPS(),initializeCharges()))
	* R/Rdisop.R: fixed important bug which always initialised the
	full PSE when supplying a special elements list
	
2008-04-23  sneumann  <sneumann@ipb-halle.de>

	* R/elements.R: fixed some masses/abundances, 
	                added more elements

2008-02-15  sneumann  <sneumann@kons.ipb-sub.ipb-halle.de>

	* R/elements.R (initializePSE): Fixed Mass of Na isotope

2007-12-04  sneumann  <sneumann@ipb-halle.de>

	* configure.win, src/Makevars.win, src/win/*: Fix Windows build

2007-12-04  sneumann  <sneumann@ipb-halle.de>

	* R/Rdisop.R, man/decomposeMass.Rd: added absolute mass deviation

2007-10-29  begert  <begert@ipb-halle.de>

	* R/elements.R: Fixed O mass

2007-10-19  sneumann  <sneumann@ipb-halle.de>

	* NAMESPACE: Re-enabled useDynLib(libims) to fix Linux Build

2007-10-15  sneumann  <sneumann@ipb-halle.de>

	* configure.win, src/Makevars.win: Fix Windows build

2007-10-14  Steffen Neumann  <sneumann@ipb-halle.de>

	* man: fixed some manpages 

2007-07-26  sneumann  <sneumann@ipb-halle.de>

	* removed several get*Masses in favour of getMass
	* polished vignette

2007-07-11  sneumann  <sneumann@ipb-halle.de>

	* R/elements.R, R/Rdisop.R: Formatting changes
	* configure.in: disabled autogen for imslib

2007-07-09  sneumann  <sneumann@ipb-halle.de>

	* DESCRIPTION (Version): bumped Version following BioC scheme

2007-07-03  sneumann  <sneumann@ipb-halle.de>

	* src/disop.cpp: Clear error Message before running 

2007-06-14  sneumann  <sneumann@ipb-halle.de>

	* R/Rdisop.R: removed CHNOPS warning message
	* Windows: first Windows build

2007-06-07  sneumann  <sneumann@ipb-halle.de>

	* R/Rdisop.R (decomposeMass): fixed call

2007-06-05  sneumann  <sneumann@ipb-halle.de>

	* src/disop.cpp: Fixed stack imbalance for empty decompositions
	* src/disop.cpp: improved Error Handling 

2007-05-25  sneumann  <sneumann@ipb-halle.de>

	* R/elements.R: Added na, k, cl, br, f, i, fe, mg, ca

	* R/Rdisop.R: moved isotope table to own file

2007-05-15  Steffen Neumann  <sneumann@ipb-halle.de>

	* Added addMolecule and subMolecule 
	to do arithmetics with adducts / fragments

2007-05-04  Steffen Neumann  <sneumann@ipb-halle.de>

	* configure.in: Re-Added local copy of IMS as fallback

2007-04-30  Steffen Neumann  <sneumann@ipb-halle.de>

	* R/zzz.R: removed unnecesary library.dynam() 
	which also caused problems on systems without libR.so
	* src/ims/*: moved imslib sources into src/ subfolder
	instead of using unchanged libims.a

2007-03-23  Steffen Neumann  <sneumann@ipb-halle.de>

	* src/disop.cpp: Removed decomposeMass(), this case is handled by
	the R code.