NEWS
nontarget 2.0
- (1) R, man adduct.search: mztol calculations adapted and explained
(2) R adduct.search, pattern.search2: output compatible with enviMass
(3) R combine: additional second rule for interfering peaks
nontarget 1.9 (2016-09-27)
- (1) R homol.search: ceiling bound mass defect rounding, parameter redefinitions
(2) R combine: redefinition for ambiguously merged and nested isotopologue groups
(3) src: signed int
nontarget 1.8 (2016-03-14)
- (1) change src comparison
(2) shorthened title
(3) debug charges
(4) New homologue series detection
(5) Optimized box queries in pattern.search2
nontarget 1.7 (2015-01-17)
- (1) debug src of pattern.search
nontarget 1.6 (2014-12-10)
- (1) man - examples revised
nontarget 1.5 (2014-09-16)
- (1) R - adduct.search now based on kd-trees
(2) src, man, R - debugs
nontarget 1.4
nontarget 1.3 (2014-07-23)
- (1) src, R, man - several debug
(2) R - pattern.search2 introduced
(3) R - homol.search upgraded