v1.16.2+galaxy0

v1.16.2+galaxy0 (#48)

* Update readme

* Update macros.xml (#46)

* Update spectralMatching.R (#47)

* github workflows

* add skip

* readme underline cleanup

* lint cleanup

* update href

* lintr update

* more lintr fixes

* version bump and sm update

* createMSP output update

* update createDatabase output

* add missing libicu-dev

* troubleshooting stringi error

* troubleshooting stringi error

* trying to remove cache

* refresh cache

* update sm test data

* Update conda section of readme

v1.12.2+galaxy3

#41

v1.12.2+galaxy2

#40

v1.12.2+galaxy1

#38

v1.12.0-galaxy1

• Bug fix (offsets were not being automatically selected for purityA) thanks jsaintvanne
• Exit script without error for flagRemove
• Username updated in Toolshed yaml

v1.12.0+galaxy0

• Initial release to the stable toolshed

v1.11.4+galaxy0.2.7

PR #27

• Bug fix for spectralMatching choice of instrument types (unit-test added)

v1.11.4+galaxy0.2.6

PR #26

• Bug fix for createAnnotation database local path
• Update of instrument types for spectral matching
• Update of split_msp tool to handle different MSP types

v1.11.4+galaxy0.2.5

PR #25

• Added ppmInterp parameter to purityA
• Complete update of combineAnnotation tool to use either sqlite, postgres or mysql database
• Update of spectralMatching tool to use either sqlite, postgres or mysql database
• Added include_adducts parameter to createMSP