diff --git a/tools/mfassignr/macros.xml b/tools/mfassignr/macros.xml index df45ec4b..2d8aa58e 100644 --- a/tools/mfassignr/macros.xml +++ b/tools/mfassignr/macros.xml @@ -95,10 +95,10 @@
- - + + + + diff --git a/tools/mfassignr/mfassignr_mfassignCHO.xml b/tools/mfassignr/mfassignr_mfassignCHO.xml index a3e00949..27d4dd56 100644 --- a/tools/mfassignr/mfassignr_mfassignCHO.xml +++ b/tools/mfassignr/mfassignr_mfassignCHO.xml @@ -22,6 +22,19 @@ iso <- read.delim("$input_iso", sep="\t") #end if SN = $sn_ratio * $kmdn + POEx = 0 + NOEx = 0 + + #if "$assign_typeof_ions"=="yes" + #if $ionMode=="pos" + POEx = 1 + NOEx = 0 + #end if + #if $ionMode=="neg" + POEx = 0 + NOEx = 1 + #end if + #end if MF_CHO_assign <- MFAssignR::MFAssignCHO( peaks = mono, @@ -33,8 +46,8 @@ highMW = $highMW, ppm_err = $ppm_err, SN = SN, - POEx = $POEx, - NOEx = $NOEx, + POEx = POEx, + NOEx = NOEx, Ex = $Ex, Mx = $Mx, NH4x = $NH4x,