From f22f1c8f68a99a93676e95b42f8b2825ec5c440f Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Daniel=20F=C3=BCrth?= Date: Mon, 18 Sep 2023 15:16:34 +0200 Subject: [PATCH] added script for figure 1 --- data/spectra/emission/01.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/02.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/03.txt | 88 ++++++++++++++ data/spectra/emission/04.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/05.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/06.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/07.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/08.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/09.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/10.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/11.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/12.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/13.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/14.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/15.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/16.txt | 219 +++++++++++++++++++++++++++++++++++ data/spectra/emission/17.txt | 219 +++++++++++++++++++++++++++++++++++ figure01.qmd | 116 +++++++++++++++++++ pdf/S02b.pdf | Bin 857 -> 857 bytes pdf/S02b_excitation.pdf | Bin 198530 -> 198530 bytes pdf/S02c.pdf | Bin 857 -> 857 bytes pdf/S02f.pdf | Bin 857 -> 857 bytes pdf/figure01_c.pdf | Bin 0 -> 212099 bytes 23 files changed, 3708 insertions(+) create mode 100755 data/spectra/emission/01.txt create mode 100755 data/spectra/emission/02.txt create mode 100755 data/spectra/emission/03.txt create mode 100755 data/spectra/emission/04.txt create mode 100755 data/spectra/emission/05.txt create mode 100755 data/spectra/emission/06.txt create mode 100755 data/spectra/emission/07.txt create mode 100755 data/spectra/emission/08.txt create mode 100755 data/spectra/emission/09.txt create mode 100755 data/spectra/emission/10.txt create mode 100755 data/spectra/emission/11.txt create mode 100755 data/spectra/emission/12.txt create mode 100755 data/spectra/emission/13.txt create mode 100755 data/spectra/emission/14.txt create mode 100755 data/spectra/emission/15.txt create mode 100755 data/spectra/emission/16.txt create mode 100755 data/spectra/emission/17.txt create mode 100644 figure01.qmd create mode 100644 pdf/figure01_c.pdf diff --git a/data/spectra/emission/01.txt b/data/spectra/emission/01.txt new file mode 100755 index 0000000..5c1f3fd --- /dev/null +++ b/data/spectra/emission/01.txt @@ -0,0 +1,219 @@ +365 14269.69728 365 560 +367 19388.74432 367 760 +369 15103.80667 369 590 +371 11728.70984 371 460 +373 18152.06831 373 710 +375 14835.27727 375 580 +377 15588.66372 377 610 +379 15615.80012 379 610 +381 17105.80065 381 670 +383 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600 \ No newline at end of file diff --git a/data/spectra/emission/17.txt b/data/spectra/emission/17.txt new file mode 100755 index 0000000..fb5ab45 --- /dev/null +++ b/data/spectra/emission/17.txt @@ -0,0 +1,219 @@ +365 37474.36895 365 530 +367 40325.43332 367 570 +369 45300.11325 369 640 +371 49578.58205 371 700 +373 33239.03819 373 470 +375 34665.72338 375 490 +377 45985.14326 377 650 +379 36816.76579 379 520 +381 47450.42493 381 670 +383 40963.34487 383 580 +385 40319.72837 385 570 +387 35323.20735 387 500 +389 33269.62554 389 470 +391 36113.86489 391 510 +393 45881.27338 393 650 +395 40379.71097 395 570 +397 36835.02161 397 520 +399 31082.22662 399 440 +401 46109.10123 401 650 +403 38893.99618 403 550 +405 46096.02156 405 650 +407 42408.82103 407 600 +409 46024.21582 409 650 +411 42480.8836 411 600 +413 41067.76181 413 580 +415 36785.51217 415 520 +417 41775.82667 417 590 +419 46030.73437 419 650 +421 43822.4484 421 620 +423 30448.94491 423 430 +425 33307.34888 425 470 +427 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8270 +665 524638.91249 665 7410 +667 532359.82137 667 7510 +669 537002.97156 669 7590 +671 486459.73273 671 6880 +673 464293.29747 673 6560 +675 441426.14601 675 6240 +677 420471.43767 677 5940 +679 405348.04754 679 5730 +681 395752.21239 681 5590 +683 383745.58304 683 5430 +685 335337.81394 685 4740 +687 304662.03769 687 4300 +689 290829.32352 689 4110 +691 271781.44242 691 3840 +693 252446.46149 693 3560 +695 255376.34409 695 3610 +697 230780.12176 697 3260 +699 221781.33636 699 3130 +701 203099.56832 701 2870 +703 152212.38938 703 2150 +705 174036.08065 705 2460 +707 155066.20406 707 2190 +709 145768.46872 709 2060 +711 155675.06369 711 2200 +713 127677.68478 713 1800 +715 141312.79587 715 2000 +717 102011.90139 717 1440 +719 123999.14972 719 1750 +721 115553.66511 721 1630 +723 92041.91447 723 1300 +725 84793.66874 725 1200 +727 84206.05718 727 1190 +729 82042.57727 729 1160 +731 78578.50772 731 1110 +733 59528.02778 733 840 +735 79926.43938 735 1130 +737 70063.69427 737 990 +739 78517.36578 739 1110 +741 72284.03373 741 1020 +743 72740.11299 743 1030 +745 59469.02655 745 840 +747 63608.7356 747 900 +749 70108.34927 749 990 +751 56473.2458 751 800 +753 63780.02976 753 900 +755 60130.16412 755 850 +757 62256.80934 757 880 +759 50861.82537 759 720 +761 48097.32635 761 680 +763 54478.56233 763 770 +765 49525.96576 765 700 +767 57332.95583 767 810 +769 57332.95583 769 810 +771 50984.27985 771 720 +773 53725.43475 773 760 +775 41096.86105 775 580 +777 49627.79156 777 700 +779 52419.06921 779 740 +781 53847.24387 781 760 +783 52430.21114 783 740 +785 57341.0732 785 810 +787 33967.87205 787 480 +789 41802.46564 789 590 +791 49424.55694 791 700 +793 47517.7305 793 670 +795 43112.58746 795 610 +797 48254.3287 797 680 +799 32600.9922 799 460 +801 29806.25931 801 420 \ No newline at end of file diff --git a/figure01.qmd b/figure01.qmd new file mode 100644 index 0000000..218ab90 --- /dev/null +++ b/figure01.qmd @@ -0,0 +1,116 @@ +--- +title: "figure01" +format: html +--- + +## Emission plot + +```{r} +files<-dir('data/spectra/emission', full.names = TRUE) + +spectra<-read.table(files[1], sep='\t') +spectra$sample <- 1 + +for(i in seq_along(files)[-1]){ + spectra.tmp <-read.table(files[i], sep='\t') + spectra.tmp$sample <- i + spectra <- rbind(spectra, spectra.tmp) +} + +spectra$fluor <- NA + +spectra$fluor[spectra$sample %in% seq(9,17)] <- 594 +spectra$fluor[!(spectra$sample %in% seq(9,17))] <- 488 + +spectra$status <- NA + +status<-c('fluor', 'quench', 'fluor', + 'quench', 'quench', 'unquench', + 'unquench', 'unquench', 'unquench', + 'fluor', 'fluor', 'fluor', + 'quench', 'quench', 'quench', + 'unquench', 'unquench', 'unquench') +k<-1 +for(i in unique(spectra$sample)){ + + + spectra$status[spectra$sample==i]<-status[i] + +} + + +library(dplyr) +spec<- spectra %>% + group_by(fluor, status, V3) %>% + summarise(emission=mean(V4)) + +spec$emission[spec$fluor == 488]<-spec$emission[spec$fluor == 488]/max(spec$emission[spec$fluor == 488 & spec$status == 'fluor']) +spec$emission[spec$fluor == 594]<-spec$emission[spec$fluor == 594]/max(spec$emission[spec$fluor == 594 & spec$status == 'fluor']) + +spec$emission <- spec$emission - mean(spec$emission[1:50]) + + +col2hex <- function(cname) +{ + colMat <- col2rgb(cname) + rgb( + red=colMat[1,]/255, + green=colMat[2,]/255, + blue=colMat[3,]/255 + ) +} + +spec<- spec[-which(spec$status == 'unquench'),] + +quartz(width = 130.1729/20, height = 83.8626/20) +par(yaxs='i', xaxs='i', mar=c(4,4,1,1)) +plot(0,0, type='n', xlim=c(450,750), ylim=c(0,1), ylab='Emission', xlab="Wavelength (nm)", las=1, axes=F) +axis(2, las=1, at=c(0,0.5,1)) + +color <- c('green3', 'green4', 'red', 'red4') +unique_samples <- unique( paste(spec$fluor, spec$status) ) +names(spec)<-c("fluor" , "status" , "wavelength" , "emission") + +peak.max <- numeric() +# Loop through each unique sample and create a polygon plot +for (sample_name in unique_samples) { + # Subset the data for the current sample + sample_data <- spec[paste(spec$fluor, spec$status) == sample_name, ] + + # Create a polygon plot for the current sample + polygon(c(sample_data$wavelength, + sample_data$wavelength[nrow(sample_data)], + sample_data$wavelength[1], + sample_data$wavelength[1]), + + c(sample_data$emission, 0, 0, sample_data$emission[1]), + col = paste0( col2hex( color[match(sample_name, unique_samples)] ), '70' ), + border = color[match(sample_name, unique_samples)], lwd=2, xpd=F ) + + # Add a legend for sample names + legend("topright", legend = unique_samples, fill = color) + + peak.max <- c(peak.max, sample_data$wavelength[which.max(sample_data$emission)] ) +} + +axis(1, at=seq(300,800,by=50)) + +``` + +Save the plot. + +```{r} +quartz.save(file="pdf/figure01_c.pdf", type='pdf') +``` + +Then compute quench ratio: +```{r} +quench.ratio <- spec %>% group_by(fluor, status) %>% summarise(max(emission)) + +AZdye488<-quench.ratio$`max(emission)`[1]/quench.ratio$`max(emission)`[2] + +AZdye594<-quench.ratio$`max(emission)`[3]/quench.ratio$`max(emission)`[4] + +round(AZdye488, 2) +round(AZdye594, 2) +``` diff --git a/pdf/S02b.pdf b/pdf/S02b.pdf index c8bf0faf37f7014c307bd1258e828bbcd0de4f4f..69e63c61f053aff3efea1698477da7f07bd8bb3a 100644 GIT binary patch delta 97 zcmcb~c9U(xFGdzqLt~4{{}|;V3`M3}&ISgCM#;%0riSKe1_s6{X6B|ACMhNsDVD~j T$;M`>7Is`Vgp^FSW0nR0Qnwlr delta 97 zcmcb~c9U(xFGdzaOJnoN{}|;V3`M3}&dC;*28IU4hDOF|Mn(oni3Vw=DQ1Zli5A8w TiHVj5mUdh=gp^FSW0nR0b1oYT diff --git a/pdf/S02b_excitation.pdf b/pdf/S02b_excitation.pdf index ee6726202cde99149b5ab22dc7b4f1ad5bccbc2d..997b61e4174886d673e2835cdc3fa6e482152726 100644 GIT binary patch delta 132 zcmZqb=V|KaX=q{G!ldz^#njNmaJtTaCV4PxyZ?WtOYDhBX+{>trYR;#sY!;ZCWfiT z=4K{o7KWAv#;Hao76z7fTs8!iD8wq**>M$@Bo>ua6s4wd8Csf|m>O`Ys=E5SaRC56 CWhCwZ delta 132 zcmZqb=V|KaX=q{G!ldz^#n95kV7ktKCV4PxyZ?WtOYDip#zskoW+s+qX~yOzh6bsL z2B~J2MwZFRNk-M$@Bo>ua6s4wd8Csf|m>O`Ys=E5SaRC4g Cz9fjX^AO@ TM&_xO$#z^egp^FSW0nR0v&9^V delta 97 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