Previous changeset 2:11779b6402bc (2017-02-22) |
Commit message:
Master branch Updating - - Fxx |
modified:
golm_ws_lib_search.xml |
added:
t/data/2017-05YG_peakspectra.msp |
b |
diff -r 11779b6402bc -r 28d579fa1718 golm_ws_lib_search.xml --- a/golm_ws_lib_search.xml Wed Feb 22 07:37:36 2017 -0500 +++ b/golm_ws_lib_search.xml Wed Oct 03 05:35:16 2018 -0400 |
b |
@@ -1,14 +1,14 @@ -<tool id="golm_ws_lib_search" name="Golm Metabolome Database search spectrum" version="2016-12-05"> +<tool id="golm_ws_lib_search" name="Golm Metabolome Database search spectrum" version="2018-10-01"> <description> : GC-MS Mass Spectral Database. </description> <requirements> - <requirement type="package" version="0.413">perl-list-moreutils</requirement> + <requirement type="package" version="0.428">perl-list-moreutils</requirement> <requirement type="package" version="1.19">perl-soap-lite</requirement> - <requirement type="package" version="0.95">perl-excel-writer-xlsx</requirement> + <!--<requirement type="package" version="0.95">perl-excel-writer-xlsx</requirement>--> <requirement type="package" version="2.90">perl-json</requirement> - <requirement type="package" version="2.95">perl-html-template</requirement> + <requirement type="package" version="2.97">perl-html-template</requirement> </requirements> <stdio> |
b |
diff -r 11779b6402bc -r 28d579fa1718 t/data/2017-05YG_peakspectra.msp --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/data/2017-05YG_peakspectra.msp Wed Oct 03 05:35:16 2018 -0400 |
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b'@@ -0,0 +1,353 @@\n+Name: Unknown 1\n+DB.idx: -1\n+rt: 19.5\n+RI: 1657\n+Class: Unknown\n+Num Peaks: 150\n+ 51 331136; 52 487032; 53 382068; 54 478333; 55 2583478; \n+ 56 992765; 57 1777882; 58 5626000; 59 6964301; 60 1145051; \n+ 61 2036806; 62 155584; 63 119910; 65 244797; 66 2961314; \n+ 67 2120910; 68 726443; 69 696156; 70 2144465; 71 1355424; \n+ 72 6645529; 73 98819264; 74 8454684; 75 11275124; 76 735302; \n+ 77 496197; 80 364217; 81 216845; 82 381085; 83 536517; \n+ 84 1917990; 85 1340575; 86 1974375; 87 570335; 88 226422; \n+ 89 219472; 91 73819; 92 158904; 93 879456; 95 216841; \n+ 96 276820; 97 307021; 98 874347; 99 1001781; 100 1752290; \n+ 101 516126; 102 460645; 103 637106; 104 150101; 105 254080; \n+ 106 75473; 107 656852; 109 92384; 110 433667; 111 267415; \n+ 112 2175294; 113 756577; 114 1070691; 115 886853; 117 1293214; \n+ 118 237363; 119 407189; 121 3484808; 122 461713; 124 132183; \n+ 125 67941; 126 521370; 127 362714; 128 400572; 129 602485; \n+ 131 2237082; 132 669029; 133 3928309; 134 537096; 135 312006; \n+ 136 55974; 139 325019; 140 2944295; 141 1056576; 142 778921; \n+ 143 229900; 144 210773; 146 566853; 147 24085640; 148 3919572; \n+ 149 2384053; 150 315259; 151 197386; 153 511197; 154 2267097; \n+ 156 171208192; 157 22453512; 158 7499734; 159 686597; 161 84383; \n+ 167 64939; 168 302853; 169 105170; 170 258244; 171 71021; \n+ 172 270649; 182 44425; 183 146013; 184 113902; 185 66156; \n+ 186 230187; 190 308620; 192 37792; 196 25921; 198 85870; \n+ 199 28476; 200 46655; 210 16303; 211 44081; 213 124907; \n+ 214 1132050; 215 273402; 216 205199; 224 25884; 225 56107; \n+ 227 97740; 228 983325; 230 14665124; 231 2839145; 242 45042; \n+ 251 18275; 253 38297; 254 50631; 256 170157; 258 15215428; \n+ 259 3227723; 260 1358519; 261 213955; 272 63951; 273 571738; \n+ 274 128479; 275 56042; 307 44008; 309 9432; 320 22293; \n+ 326 9240; 328 12816; 346 46823; 347 16823; 355 8059; \n+ 357 8313; 366 14353; 374 4686; 393 3295; 438 2900; \n+\n+Name: Unknown 2\n+DB.idx: -2\n+rt: 15.31\n+RI: 1453\n+Class: Unknown\n+Num Peaks: 109\n+ 54 130985; 55 386304; 57 572006; 58 1626517; 59 11332940; \n+ 60 1105852; 61 779043; 62 49838; 66 309409; 71 464676; \n+ 72 2090765; 73 42740320; 74 3703100; 75 3623063; 76 274144; \n+ 85 249850; 86 414586; 87 239455; 88 98221; 97 140325; \n+ 99 1052895; 100 24192800; 101 2494568; 102 1015568; 103 546189; \n+ 104 125585; 105 183390; 106 40513; 111 37644; 112 79349; \n+ 113 463977; 114 6892017; 115 1341075; 116 1447155; 117 1475621; \n+ 118 333477; 119 566729; 121 43164; 126 53442; 127 96521; \n+ 128 223305; 129 541549; 130 2409628; 131 2458746; 132 713618; \n+ 133 6865427; 134 1028935; 135 501012; 136 44352; 137 98973; \n+ 141 33025; 142 228741; 143 102661; 146 477377; 147 13679376; \n+ 148 2077954; 149 1185419; 150 119782; 158 1165756; 159 276042; \n+ 161 159910; 171 108878; 172 1354853; 173 338360; 175 667469; \n+ 176 157953; 178 27122; 183 99766; 185 204644; 186 577938; \n+ 188 75097568; 189 13668140; 190 6203580; 191 1823164; 192 296459; \n+ 193 101260; 194 19856; 200 323091; 201 92126; 202 875048; \n+ 203 195692; 204 330140; 216 178605; 221 132418; 222 36299; \n+ 223 18897; 232 176396; 246 854916; 247 204988; 251 20344; \n+ 261 382321; 262 13058662; 263 3238526; 264 1545900; 265 284162; \n+ 266 85796; 274 23404; 275 24860; 277 41487; 286 16538; \n+ 289 99968; 290 2020076; 291 499514; 292 263523; 293 71717; \n+ 294 20217; 305 21687; 330 6032; 437 4823; \n+\n+Name: Unknown 3\n+DB.idx: -3\n+rt: 13.95\n+RI: 1391\n+Class: Unknown\n+Num Peaks: 99\n+ 55 275674; 57 567253; 58 1478262; 59 6933425; 60'..b'77 377818; \n+ 203 457034; 204 803831; 205 5185592; 206 1061940; 217 346315; \n+ 218 1548849; 219 298102; 220 124613; 263 31206; 293 122443; \n+ 323 4285; 381 6432; \n+\n+Name: Unknown 11\n+DB.idx: -11\n+rt: 18.74\n+RI: 1618\n+Class: Unknown\n+Num Peaks: 77\n+ 53 40812; 54 21260; 55 146430; 56 77603; 59 908307; \n+ 60 106007; 61 53777; 67 29572; 68 37685; 69 64507; \n+ 72 143191; 73 1762979; 74 194863; 80 35725; 81 27528; \n+ 82 51068; 84 55681; 85 89896; 86 828644; 87 84646; \n+ 88 49644; 89 205056; 90 20012; 91 19169; 94 13462; \n+ 96 48668; 98 33260; 100 403811; 101 61630; 109 11536; \n+ 111 28957; 112 79463; 113 54448; 114 61327; 115 54540; \n+ 116 83696; 117 101112; 118 35941; 119 21167; 124 6835; \n+ 126 42214; 127 44069; 129 66184; 130 200987; 131 80685; \n+ 132 42641; 138 11726; 140 22741; 142 21205; 144 32215; \n+ 146 24281; 152 24271; 153 20832; 158 61244; 161 16101; \n+ 163 9971; 166 17850; 168 31693; 169 577126; 170 139563; \n+ 171 66005; 173 127042; 174 4796783; 175 847814; 176 407684; \n+ 177 62776; 178 12618; 183 32320; 184 19051; 186 54023; \n+ 187 15389; 199 14205; 200 17445; 201 17567; 241 11800; \n+ 288 10448; 290 5007; \n+\n+Name: Unknown 12\n+DB.idx: -12\n+rt: 16.97\n+RI: 1531\n+Class: Unknown\n+Num Peaks: 100\n+ 54 47878; 56 282539; 57 153571; 59 593941; 60 186652; \n+ 61 240778; 62 29689; 67 51736; 68 118524; 70 138070; \n+ 72 504478; 73 9093456; 74 1418244; 75 1616427; 76 145139; \n+ 77 118021; 85 58780; 87 88493; 88 186504; 89 198370; \n+ 90 73954; 91 34464; 98 86699; 100 242339; 101 136247; \n+ 102 504345; 103 1774298; 104 242232; 105 109551; 111 26546; \n+ 112 83080; 113 108938; 114 210996; 115 165449; 116 203302; \n+ 117 219295; 118 86507; 119 78941; 124 13998; 126 50258; \n+ 127 99432; 128 1099596; 129 1591586; 131 273502; 132 138850; \n+ 133 494301; 134 92130; 135 63677; 141 32620; 142 200537; \n+ 143 168256; 144 1650355; 145 326613; 146 188649; 147 1833438; \n+ 148 324070; 149 338173; 150 62825; 151 25138; 161 33780; \n+ 163 22733; 164 12143; 165 14428; 176 72804; 177 31961; \n+ 189 817834; 190 186725; 191 95242; 192 15799; 200 24096; \n+ 201 36112; 202 54941; 203 897664; 204 499809; 205 972365; \n+ 206 202463; 213 13118; 215 43985; 216 45999; 217 335123; \n+ 218 140404; 219 53933; 221 39622; 222 15163; 229 23829; \n+ 231 35030; 233 445215; 234 9632150; 235 2048150; 236 912243; \n+ 237 107163; 238 43814; 240 17452; 241 16833; 249 16027; \n+ 291 10111; 306 9362; 310 9326; 323 6392; 408 4238; \n+\n+Name: Unknown 13\n+DB.idx: -13\n+rt: 10.49\n+RI: 1243\n+Class: Unknown\n+Num Peaks: 63\n+ 73 2608558; 74 259289; 119 45060; 133 119547; 146 126142; \n+ 147 2071419; 148 320745; 149 203305; 150 41001; 163 21345; \n+ 165 22740; 177 43829; 178 14755; 179 46037; 181 6454; \n+ 189 53917; 191 202459; 193 83967; 195 13020; 203 31098; \n+ 205 87391; 207 412488; 208 126065; 221 36364; 235 27212; \n+ 237 19894; 247 40312; 249 329561; 250 112987; 251 103491; \n+ 253 23929; 261 11575; 263 14377; 265 339935; 266 85092; \n+ 267 77377; 269 8066; 277 22768; 279 46230; 281 2114038; \n+ 282 568172; 283 408364; 284 90638; 285 39917; 286 10026; \n+ 295 5943; 309 6064; 322 4007; 337 6595; 348 4820; \n+ 353 27914; 355 13556; 361 6526; 366 8572; 368 19262; \n+ 369 491049; 370 232649; 371 135119; 372 46012; 373 19844; \n+ 374 2925; 392 1828; 434 1752; \n+\n+Name: Unknown 14\n+DB.idx: -14\n+rt: 11.43\n+RI: 1281\n+Class: Unknown\n+Num Peaks: 16\n+ 87 119129; 100 186341; 115 59259; 116 992454; 117 191691; \n+ 118 63267; 122 20884; 190 122183; 191 47676; 192 22568; \n+ 212 47401; 213 12863; 232 154371; 233 39862; 247 10897; \n+ 356 9061; \n+\n' |