From 02ff0ee65f34962527bbb2d75e5b42a6ec4c3576 Mon Sep 17 00:00:00 2001 From: Helge Hecht Date: Mon, 18 Nov 2024 16:22:15 +0100 Subject: [PATCH] added adduct table as parquet file --- R/advanced_annotation.R | 1 + tests/testthat/test-data/adduct_table.parquet | Bin 0 -> 6046 bytes 2 files changed, 1 insertion(+) create mode 100644 tests/testthat/test-data/adduct_table.parquet diff --git a/R/advanced_annotation.R b/R/advanced_annotation.R index 3013a84..304e5f3 100755 --- a/R/advanced_annotation.R +++ b/R/advanced_annotation.R @@ -126,6 +126,7 @@ advanced_annotation <- function(peak_table, # Tool 3: Compute correlations (peak intensity matrix will be the input, so doesn't need to be cut) + # also check the galaxy tool to compute correlations # ---------------------------- peak_intensity_matrix <- get_peak_intensity_matrix(peak_table) peak_correlation_matrix <- compute_peak_correlations(peak_intensity_matrix, correlation_method = "p") diff --git a/tests/testthat/test-data/adduct_table.parquet b/tests/testthat/test-data/adduct_table.parquet new file mode 100644 index 0000000000000000000000000000000000000000..dd3e4c6114093b8259d4049b7755c9036bd126cd GIT binary patch literal 6046 zcmeHLdvsIv9sm8(+&1?%DJ}Nal$F|Qn?p&9%}rA(g4~-l=}ps{rjO8vFi4ZqHsocS zK7ADxWFlJ8gN*sWGpFDtFHsTaC?Gx%73U6f2#S;GoR6V98+v^0`@2a>sGLoA^pBlm zPIG^+@9Xn@{ch?K8V#(HeQ7FtgsEeXVOBX6p$F+~j1ZF2FjY||a`j~*1xrpUGg34% zVj3x_>2#JFHn^;5h|^4?RVr9enVCkZOiZCTrAX6`Y);fW#R{wemdoI&q6+C;tfpF2 zdZ!1gHO0t7-+_zh^lVs{aU#ya%T#(x0H@=S8pc%0g&BH}Qg4ZArS@nprn`|tGe-@Q z9rPTQQR^LL9JQ+mwCY7meZ9y~2WYjjOvLwTIY}>iyk*pCO*$^doDy^zaWfdL=jipw zNHKUlMboz`&ApV7sHNLcI^K&jXfrhhA6D9oxB;oN@->-wWgdtE1G##92&+|Oyd2++ zRVt&TFS!xvi?`xiDH`8G6)Gh?odvGYm%L8=gfGP^&3+Ye0;4oafM&naDVFU(decE1 zz*@~}z*>s9!bgC1KDeX3ph7{6X z#AR(oB2K5bR?b#r8v&M{D>^C68i$U(27w;-|MF}ei&SEJ%Y4J8u)W#!vXf~Ks@s&tZ= zdWYU(Gm?O_h&_TKZ%gIeWmDPIyh=194HAN+tu~c}+Y$htWvBcpFdV};ZTjfw5`Km@ zW7Q2Ed%LUh$5#2wn_FkCzj^8Y_l7RpIM!V~^XJY@clZzZpZMvv^#R+j{}kGFSLoUI zKf7jpV?->ScI$KZ_dXw(bMN6z(b|XGx4!n9ffqg;*>hssP~EIwy!_XlBQJ(hkZy}6 zk5%WIlqfYo`(C9|fb*gh3np+ChsALrgfRO=_LCfaV0W?yY z>QYjfWS^h`qFUCOgk7s7+gc?d%0V-dRD?N||=U4;0xFfAG@64vrX zP>evPdmuB9Rm5#i4=oOc1D)RfKxbbJz)_s@XRP}oL-%w>-hWW{?SK%2WRQrhV_n}C zi0+OAkQCSEY?M0_p-~1QKecIe+9;#&uVR!N6)FYN?LO}el2mWEr?;y!1_A8!| z?%VzGN6K>kgB6O$uK%opf5~<1W8LRGziGkZMeJ1q&vd@^{<2{+pTDZ~_fKDI<6rsP zN%a93XDaS`pZYWN3%h^k;_31e4g9=M(o$aD-Nd_kZ*+KeBc1Q*C^G zoAk%?<}c)*v%Goy;5{AuYrDQ$bnkLu{OcW8ezFZ2vc}MS%|^s)ww-F_tw*1^caw_a zPygl6zzW95H{PA$oA+fUuiTt{>9ntB^N;VGHuW^RgnvE!VYU4Ro_{Lx?mqEK3%_o_ zKWp|E7XJ1Vnx1B*l@Go%_6PF{D?fDS>Q9|l*?3w!HEiSczr5{b{WUfGE4Oo-?^|BO zKebt0v7M^pUt04X?O5gHm+tu}`tD~=etY)wEeh=7*IfPlGuJCz{Fnb^(m$Hlz`H`P zpWZaTfj|6V@tRlWG{vWA&_R$STq3oX%Xk+jK4=>dUkKdW^<)MOh zV|F~be`r;SL#-;|MX057>_YM`I<+vKi>cH30@c29wNl8odbBIA$V1*+>jGj4fXTbIZBK)Uh#JeG+UqcZ5}i&x=IOwI{fH=3tAk)8J)3_fR7+E`nny%tV2X;Gq? zNCWRuOP0cUW&|zC$%M)1K#s3kiFE69NzRE5N8-+TC?#iOite2v-M=m*&iSUQbGSy4 zdzA@kQ~SK#ok0()My$G6k+_G7QC%KrWficM+}>k5@ivKA29D)~i!sa5O0W`XN@8Jr z11`4QyxhR|c4%E$-FsNfQ_&!&P#I zib}?C$?U4CDyEXLxD1?$V@yT^6MGsM102hACL?1gXMCQhXV%hQPp}hKT+*3|3BhLH zS@b5x8-P~GaHa}bX64zEK_FuQnX(|0;cQ(-#@7>+ISF?%372G!Ckic~qdy9Y2^O$% zHscKk`h%e}S|^bFsP9LA{+E17&a=uyN>wtkUj~UaWNOmuc4D`ZiM_cd))fqS4Myt>Gz4kEaJGQZPvUnw+PI-^uTcV-?((=kp!tSg!V9uN zALs=A4rjCV9QH_#_L@KxbQ_!kU~6tj*kb@*m;=tPIOb;1*(^BPS{uu~!9b6%wK3pL z_yf+IgAsoRH)QB&F@bJboR{< z_Q*IVW3W&1sjb{6)<)Vw3(DJDiEk4A_JY4I>GQQ1`ej=IpR-vazK)LsBhVAu09!m3 zXRs3+NW2NnU}Tx6r9AF;8Q)|K5ci1~0>((UPi!3awA31WH6)f3XGTlVInW_4h<1dC ztrKxf&YK_OC)dmWOZ+D1C)CYE4z@YkS{j%6TAWa?6FC5RAL(!934@qvCU2tF||*dFWTRzmM`!GpBp2DiLh zBU8r+$W-R9F$}cVxaE^NLeDkBqYBp6YFVf`(eGsvco2Sbw5`=S0uvC~Med83XhEAl4iKB_U1Xx5)M;@%It_Niin(%pfQi#Q1$fRK?^0 zNVv@4yiEWovP(f&!U+j~%KlFBr;I0&Um#0niJi}zhqM<)JiS-+cSg&+kx0QnXK!Cm jI8