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1 message · arun

arun
# 
HI Elisa,

You need to review the formulas.? Some of them (especially between 84 & 85 or 4 & 84 is not making sense, possibly typos).? I changed it according to the pattern of the formulas.
source("ElisaNew.txt")
#mat1 # dataset

res<-do.call(cbind,lapply(seq_len(nrow(mat1)),function(i) do.call(rbind,lapply(split(rbind(mat1[i,],mat1[-i,]),1:nrow(rbind(mat1[i,],mat1[-i,]))), function(x) {x1<- rbind(mat1[i,],x);x1<-as.data.frame(x1);
if({indx<-colSums(is.na(x1));indx[1]==0 & indx[2]==0 & indx[3]==1 & indx[4]==2}) #3 peaks 2 peaks comparison
?{x2<- x1[rev(order(x1$Peak3,x1$Npeak3)),];
with(x2,{abs(Peak1[1]-Peak1[2])+abs(Peak2[1]-Peak2[2])+abs(Peak1[1]-Peak3[2]) + abs(Npeak1[1]-Npeak1[2])+abs(Npeak2[1]-Npeak2[2])+abs(Npeak1[1]-Npeak3[2])})
}

else if({indx[1]==0 & indx[2]==1 & indx[3]==2 & indx[4]==2}) #2 peaks 1 peak comparison
{x3<- x1[rev(order(x1$Peak2,x1$Npeak2)),];
with(x3,{abs(Peak1[1]-Peak1[2])+ abs(Peak1[1]-Peak2[2])+ abs(Npeak1[1]-Npeak1[2])+ abs(Npeak1[1]-Npeak2[2])})
}
else if({indx[1]==0 & indx[2]==0 & indx[3]==1 & indx[4]==1}) #4 peaks 2 peaks comparison
{x4<- x1[rev(order(x1$Peak3,x1$Peak4,x1$Npeak3,x1$Npeak4)),];
with(x4,{abs(Peak1[1]-Peak1[2])+abs(Peak2[1]-Peak2[2])+ abs(Peak1[1]-Peak3[2])+ abs(Peak2[1]-Peak4[2])+ abs(Npeak1[1]-Npeak1[2])+abs(Npeak2[1]-Npeak2[2])+ abs(Npeak1[1]-Npeak3[2])+ abs(Npeak2[1]-Npeak4[2])})
}

else if({indx[1]==0 & indx[2]==0 & indx[3]==0 & indx[4]==1}) #4 peaks 3 peaks comparison
{x5<- x1[rev(order(x1$Peak4,x1$Npeak4)),];
with(x5,{abs(Peak1[1]-Peak1[2])+abs(Peak2[1]-Peak2[2])+ abs(Peak3[1]-Peak3[2])+ abs(Peak1[1]-Peak4[2])+ abs(Npeak1[1]-Npeak1[2])+abs(Npeak2[1]-Npeak2[2])+ abs(Npeak3[1]-Npeak3[2])+ abs(Npeak1[1]-Npeak4[2])})
}
else if({indx[1]==0 & indx[2]==1 & indx[3]==1 & indx[4]==1}) #4 peak 1 peak comparison
{x6<- x1[rev(order(x1$Peak2,x1$Peak3,x1$Peak4,x1$Npeak2,x1$Npeak3,x1$Npeak4)),];
with(x6,{abs(Peak1[1]-Peak1[2])+ abs(Peak1[1]-Peak2[2])+abs(Peak1[1]-Peak3[2])+ abs(Peak1[1]-Peak4[2])+ abs(Npeak1[1]-Npeak1[2])+ abs(Npeak1[1]-Npeak2[2])+abs(Npeak1[1]-Npeak3[2])+ abs(Npeak1[1]-Npeak4[2])})
}
else if({indx[1]==0 & indx[2]==1 & indx[3]==1 & indx[4]==2}) # 3 peaks 1 peak comparison
{x7<- x1[rev(order(x1$Peak2,x1$Peak3,x1$Npeak2,x1$Npeak3)),];
with(x7,{abs(Peak1[1]-Peak1[2])+abs(Peak1[1]-Peak2[2])+abs(Peak1[1]-Peak3[2])+ abs(Npeak1[1]-Npeak1[2])+abs(Npeak1[1]-Npeak2[2])+abs(Npeak1[1]-Npeak3[2])})
}
else {x1[is.na(x1)]<-0; x1; #cases where peaks are similar
with(x1,{abs(Peak1[1]-Peak1[2])+ abs(Peak2[1]-Peak2[2])+ abs(Peak3[1]-Peak3[2])+abs(Peak4[1]-Peak4[2]) + abs(Npeak1[1]-Npeak1[2])+ abs(Npeak2[1]-Npeak2[2])+ abs(Npeak3[1]-Npeak3[2])+abs(Npeak4[1]-Npeak4[2])})
}

}))))

res2<-do.call(cbind,lapply(seq_len(ncol(res)),function(i) c(c(tail(res[seq(1,i,1),i],-1),0),res[-c(1:i),i])))
row.names(res2)<-1:nrow(res2)
dim(res2)
#[1] 124 124
res2[1:5,1:5]
#?????? [,1]????? [,2]????? [,3]???? [,4]????? [,5]
#1?? 0.00000? 65.59415? 86.62556 407.9987 104.78294
#2? 65.59415?? 0.00000? 42.14256 307.3830? 39.18879
#3? 86.62556? 42.14256?? 0.00000 314.4331? 33.88839
#4 407.99871 307.38297 314.43309?? 0.0000 266.78887
#5 104.78294? 39.18879? 33.88839 266.7889?? 0.00000
?? 


A.K.