exclusion mz values #9

List (and corresponding code) of the mz values to be excluded since they are background noise

data/exclusion_mz.txt

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+"NEG"	"POS"
+44.982	124.0868
+91.003664	90.97639
+112.96945	158.96384
+180.9569	226.95129
+248.94435	294.93874
+316.9318	362.92619
+384.91925	430.91364
+452.9067	498.90109
+520.89415	566.88854
+588.8816	634.87599
+656.86905	702.86344
+724.8565	770.85089
+792.84395	838.83834
+860.8314	906.82579
+928.81885	974.81324
+996.8063	NA
+306.903	NA
+374.89045	NA
+623.3915	NA
+691.37895	NA
+759.3664	NA
+827.35385	NA
+895.3413	NA

exclusion_mz.R

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+NEG = c(
+  # Formic Acid:
+  44.9820, (46.00547*2)-1.007276, (44.9820 + seq(14)*67.98745),
+  (44.9820+(c(3,4)*67.98745)+57.95865),
+
+  # ??
+  623.3915, (623.3915+seq(4)*67.98745)
+  )
+
+POS = c(124.0868, 90.97639, 90.97639+(seq(13)*67.98745))
+
+max.len = max(length(NEG), length(POS))
+
+NEG = c(NEG, rep(NA, max.len - length(NEG)))
+POS = c(POS, rep(NA, max.len - length(POS)))
+
+exclusion_mz <- data.frame(NEG, POS)
+
+write.table(exclusion_mz, "data/exclusion_mz.txt", sep="\t", row.names = FALSE)