rm(list=ls()) pref<-"Jan 3 2010 preliminary HAP Raman spectra:" RamSpecEval<- function(filename) { XX<-read.table(filename) attach(XX) quartz(width=10, height=5) plot(V1,V2, typ='l', , main=paste(pref,filename, 'raw'), col='red') # browser() cat("Zero order is at:",Zo<-V1[which.max(V2)],"\n") Xo<-V1[V1>149.999] Yo<-V2[V1>149.999] detach(XX) Vn<-Vo<- Yo - lowess(Xo, Yo,f=0.2)$y nx<-length(Xo) cat("length(Xo)=", nx, ".\n") V1<-V2<-V3<-V4<-V5<-V6<-Ss<-Xs<-as.numeric(Xo[3:(nx-2)]) for(j in 3:(nx-2)){ A<-Vo[(j-2):(j+2)] So<-var(A[c(1,2,4,5)])^0.5 Mo<-median(A[c(1,2,4,5)]) if(A[3]>Mo+5*So) {dit<-1; Vn[j]<-Mo } else {dit<-0} Ss[j-2]<-So } # Orthogonal multipliers XX<- c(-2, -1, 1, 2, -1, 1, 1, -1, 1, -2, 2, -1) XX<-matrix(XX, 3, 4, byrow= TRUE) XX5<- matrix(0,3,5) XX5[,c(1,2,4,5)]<-XX XX5[2,]<- c(-2,1,4,1,-2) SVD5<-svd(XX5) SVD4<-svd(XX) SVD4$v<-SVD4$v[,c(1,3,2)] SVD4$d<-SVD4$d[c(1,3,2)] SVD4$v[,2]<- -1*SVD4$v[,2] SVD5$v<-SVD5$v[,c(3,1,2)] SVD5$d<-SVD5$d[c(3,1,2)] Perc<-0.2 Vcrit<-1.5 cat('Now look for adjusting linear vs quadratic within spectra. ') for(j in 3:(nx-2)){ A<-Vo[(j-2):(j+2)] S4<-t(SVD4$v)%*%A[c(1,2,4,5)]/SVD4$d S5<-t(SVD5$v)%*%A/SVD5$d V1[j]<-S4[1] V2[j]<-S4[2] V3[j]<-S4[3] V4[j]<-S5[1] V5[j]<-S5[2] V6[j]<-S5[3] } MaxV<-Perc*max(Vn) Vsum<-abs(V1)+abs(V2)+abs(V3) V1p<-MaxV*V1/Vsum V2p<-MaxV*V2/Vsum V3p<-MaxV*V3/Vsum V5p<-MaxV*V3/Vsum for(j in 3:(nx-2)){ if(!is.nan(V5p[j])){ if (V5p[j]< (-Vcrit)) { A<-Vo[(j-2):(j+2)] Vn[j]<- median(A[c(1,2,4,5)]) } else if (V5p[j]> Vcrit) { if (V1p[j] > V2p[j]) { A<-Vo[(j-2):(j+2)] Vn[j]<- median(A[c(1,2,4,5)]) } } } } quartz(width=10, height=5) plot(Xo,Vn, typ='l', main=paste(pref,filename, 'fixed')) mtext(paste("Zero order is at: ", Zo)) } # End of subroutine deffinition #------------------------------------------- fnam="STD_HAP_12_41_80.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_12_47_81.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_12_48_82.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_13_02_83.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_13_05_84.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_17_89.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_18_90.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_19_91.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_19_92.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_20_93.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_20_94.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_21_95.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_22_96.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_32_98.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_33_99.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_34_100.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_35_101.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_37_102.txt" RamSpecEval(fnam) browser() fnam="STD_HAP_14_38_103.txt" RamSpecEval(fnam) browser() pref<-"Jan 3 2010 preliminary Si Raman spectra:" fnam="STD_Si_11_48_76_Si_h200_s100_1200.txt" RamSpecEval(fnam) browser() fnam="STD_Si_11_54_77_Si_h200_s100_1200.txt" RamSpecEval(fnam) browser() fnam="STD_Si_12_32_79_Si_h200_s100_1800+cl.txt" RamSpecEval(fnam) browser() # fnam="Chitin_13_27_82.txt" is post burn.