From ecdc39767e8e3fe8fda7b78df18af1d68ca91ac8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Daniel=20F=C3=BCrth?= Date: Thu, 7 Sep 2023 17:07:15 +0200 Subject: [PATCH] supp Fig02b --- .gitignore | 2 + data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).cdxml | 1017 +++++++++++++++++ data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).svg | 139 +++ pdf/S02b.pdf | Bin 0 -> 857 bytes supplementary_fig02.md | 74 ++ supplementary_fig02.qmd | 66 ++ .../figure-commonmark/unnamed-chunk-16-1.png | Bin 0 -> 44048 bytes .../figure-commonmark/unnamed-chunk-17-1.png | Bin 0 -> 36578 bytes 8 files changed, 1298 insertions(+) create mode 100644 data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).cdxml create mode 100644 data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).svg create mode 100644 pdf/S02b.pdf create mode 100644 supplementary_fig02_files/figure-commonmark/unnamed-chunk-16-1.png create mode 100644 supplementary_fig02_files/figure-commonmark/unnamed-chunk-17-1.png diff --git a/.gitignore b/.gitignore index e75435c..b7a4307 100644 --- a/.gitignore +++ b/.gitignore @@ -47,3 +47,5 @@ po/*~ # RStudio Connect folder rsconnect/ + +/.quarto/ diff --git a/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).cdxml b/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).cdxml new file mode 100644 index 0000000..41a2e60 --- /dev/null +++ b/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).cdxml @@ -0,0 +1,1017 @@ + + + + + + + + + + + + + +NNNNONHOOONNNNONHOOONNN+N diff --git a/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).svg b/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).svg new file mode 100644 index 0000000..47c055d --- /dev/null +++ b/data/ChemDraw/Azido-PEG1-N-bis(PEG2-Tz).svg @@ -0,0 +1,139 @@ + + + + +N + +N + +N + +N + + + + + + + + + + + + + + + + + + + + + +O + + + + + +N + +H + + + + + +O + + + + +O + + + +O + + + +N + +N + +N + +N + + + + + + + + + + + + + + + + + + + + + +O + + + + + +N + +H + + + + + +O + + + + +O + + +O + + + + +N + + + + + + + + + +N + + +N + ++ + + + +N + +– + + + diff --git a/pdf/S02b.pdf b/pdf/S02b.pdf new file mode 100644 index 0000000000000000000000000000000000000000..f133c3f33361ede9821bdb51369a03b5ea08c918 GIT binary patch literal 857 zcmah{!EVz)5N#z6Xuo1E5s47-?%M0LD9WKRK?tgbq~bu^!^WNjBiD=8YZUr5-1w1- zGyi}p4&2}en01mSv_e>xy?XQJ?aaJsjg!$6(G6Ma`sUZo&o93}f4lz5Lf~L#?^(YO z!6+{rTKX5-VS=g25Q0}&F5Ej10tN$CIg9#|E%zUvK76pZ|6}hv!!lc=bn;4KNAdL2 z2a*`;Mf0^-I*=5eKrq3|)HcNmq7^VSrK5NSzM_f0Y^~?xn+nI)q*HWoMxx0GE_P^M zcSGA=TS0J)S+0-F63#eL6ptW``2_?+Q&Twtf|q$#k)p4A@|UE#Cppwk7iO_)sap54 zEj8Xv$X$WZeqC$puAr55D9M_vPHDpJOP!uf;SJgz2lsPBPGh{o3l({> z!JO53fwo!MX?}&!qjfUIf%l76>qR*?;H~iIgq-b1X)2?h6gpB|#F3b%LeDUoaV_I$ ab|44r|CH5cRF3RyrlR7AwOY?kM(htNyXRp5 literal 0 HcmV?d00001 diff --git a/supplementary_fig02.md b/supplementary_fig02.md index eaccf9d..beb9b58 100644 --- a/supplementary_fig02.md +++ b/supplementary_fig02.md @@ -341,3 +341,77 @@ for(i in seq_along(mysamples)){ ``` ![](supplementary_fig02_files/figure-commonmark/unnamed-chunk-15-1.png) + +Lets make this graph a little bit prettier, using +[ColorBrewer2.org](https://colorbrewer2.org/) for color panels: + +``` r +if(!require(RColorBrewer)){ + install.packages('RColorBrewer') +} +``` + + Loading required package: RColorBrewer + +``` r +library(RColorBrewer) + +mylabels <- c('AZdye594-PEG1-N-bis(PEG2-Tz)', + 'AZdye488-PEG1-N-bis(PEG2-Tz)', + 'AZdye594-DBCO', + 'AZdye488-DBCO', + 'Azido-PEG1-N-bis(PEG2-Tz)') + +color <- c(RColorBrewer::brewer.pal(6, 'PuOr')[c(5,1,6,2)], 'black') + +scale.factor.y <- 1.2 #adds some space between lines when we stack them on top. +text.under.y <- 0.3 #placement of the text label under the trace. +text.under.x <- 0.31 #placement of the text label under the trace. + +#normalize values +normalize <- function(num_vec){ + maxnv <- max(num_vec, na.rm = TRUE) + md<-num_vec[1] + return((num_vec-md) / (maxnv)) +} + +#create a new variable 'norm' which normalizes values for each compound +trace$norm<-with(trace, ave(value, sample, FUN = normalize)) + +quartz(width=5.5, height=5.6) +par(mar=c(2,1,0,1)) +plot(trace$time[trace$sample == mysamples[1]], + trace$norm[trace$sample == mysamples[1]], + type='l', + xlab='', + ylab='', + ylim=c(-max(trace$norm)*text.under.y, scale.factor.y^2*max(trace$norm)*length(mysamples)), + xlim = c(1, 2.5), + axes=FALSE, + col=color[1] + ) + +for(i in seq_along(mysamples)){ + #k is a variable that adds some space for sample 3 and above so the two reactions are vertically seperated from the rest. + if(i > 2){ + k <- 1.5 + }else{ + k <- 0 + } + lines(trace$time[trace$sample == mysamples[i]], + trace$norm[trace$sample == mysamples[i]]+scale.factor.y*max(trace$norm)*(i-1)+k, col=color[i]) + + text(max(trace$time)*text.under.x, scale.factor.y*max(trace$norm)*(i-1)-max(trace$norm)*text.under.y+k, mylabels[i], col=color[i], pos=4, cex = 0.8) +} +``` + +![](supplementary_fig02_files/figure-commonmark/unnamed-chunk-16-1.png) + +Lets save the figure as a PDF: + +``` r +quartz.save(file='./pdf/S02b.pdf', type='pdf') +``` + + quartz_off_screen + 2 diff --git a/supplementary_fig02.qmd b/supplementary_fig02.qmd index 912eb64..84120e0 100644 --- a/supplementary_fig02.qmd +++ b/supplementary_fig02.qmd @@ -155,3 +155,69 @@ for(i in seq_along(mysamples)){ text(max(trace$time)*text.under.x, scale.factor.y*max(trace$value)*(i-1)-max(trace$value)*text.under.y+k, mysamples[i], col=i) } ``` + +Lets make this graph a little bit prettier, using [ColorBrewer2.org](https://colorbrewer2.org/) for color panels: + +```{r} +if(!require(RColorBrewer)){ + install.packages('RColorBrewer') +} +library(RColorBrewer) + +mylabels <- c('AZdye594-PEG1-N-bis(PEG2-Tz)', + 'AZdye488-PEG1-N-bis(PEG2-Tz)', + 'AZdye594-DBCO', + 'AZdye488-DBCO', + 'Azido-PEG1-N-bis(PEG2-Tz)') + +color <- c(RColorBrewer::brewer.pal(6, 'PuOr')[c(5,1,6,2)], 'black') + +scale.factor.y <- 1.2 #adds some space between lines when we stack them on top. +text.under.y <- 0.3 #placement of the text label under the trace. +text.under.x <- 0.31 #placement of the text label under the trace. + +#normalize values +normalize <- function(num_vec){ + maxnv <- max(num_vec, na.rm = TRUE) + md<-num_vec[1] + return((num_vec-md) / (maxnv)) +} + +#create a new variable 'norm' which normalizes values for each compound +trace$norm<-with(trace, ave(value, sample, FUN = normalize)) + +quartz(width=5.5, height=5.6) +par(mar=c(2,1,0,1)) +plot(trace$time[trace$sample == mysamples[1]], + trace$norm[trace$sample == mysamples[1]], + type='l', + xlab='', + ylab='', + ylim=c(-max(trace$norm)*text.under.y, scale.factor.y^2*max(trace$norm)*length(mysamples)), + xlim = c(1, 2.5), + axes=FALSE, + col=color[1] + ) + +for(i in seq_along(mysamples)){ + #k is a variable that adds some space for sample 3 and above so the two reactions are vertically seperated from the rest. + if(i > 2){ + k <- 1.5 + }else{ + k <- 0 + } + lines(trace$time[trace$sample == mysamples[i]], + trace$norm[trace$sample == mysamples[i]]+scale.factor.y*max(trace$norm)*(i-1)+k, col=color[i]) + + text(max(trace$time)*text.under.x, scale.factor.y*max(trace$norm)*(i-1)-max(trace$norm)*text.under.y+k, mylabels[i], col=color[i], pos=4, cex = 0.8) +} +``` + +Lets save the figure as a PDF: + +```{r} +quartz.save(file='./pdf/S02b.pdf', type='pdf') +``` + +You can view the PDF here: + diff --git a/supplementary_fig02_files/figure-commonmark/unnamed-chunk-16-1.png b/supplementary_fig02_files/figure-commonmark/unnamed-chunk-16-1.png new file mode 100644 index 0000000000000000000000000000000000000000..5ccfb23ed706810822f7a76fb2090806785c73ee GIT binary patch literal 44048 zcmd43Wl&sO&@PO-yF-BB?mD<65G27}f(3VX4W1BO1Hs*GfWb*{C%C)2^9|&j_vEem z>i)VvZq*)YGqY!{?q1!!y8G!hpOqA3P?3m`ARr)6-^fb7hk$^}f`EWrMt}pq;}N;U z1pxtrW+5S=WGNvdVQXdU@WIZ|*hI#}#>BzG_`Qrc1O#7Hl&Y>di7E~twXvF!dMI!r zFYhbbBlou&tM{Wpv)hj*)z*Y1B<&;xM9Fxm^2Q z?-%8&3B)6Aca^RmjM!Zt;GCc2`?$F8|B z_${hSEf{#mHJY~DCa&<&S~3=Rn^ zp%|H}>+?=wxNA{Qz-94 zW-|+c=@I^1({M4S!-%z0OtpMKmwI7FqWFV8b3IPaYvB;RG!&;kHs||`TNm~8WQ5hP z{P@U3k*`_RYEQ)beAR1de_-g>Ir+w{&iB2Wi~9wc*_KJPp%h0Rcc264!cB_$DcT<7 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