Mercurial > repos > pieterlukasse > prims_metabolomics2
comparison metaMS/INFO_structure_of_LC.txt @ 6:4393f982d18f
reorganized sources
author | pieter.lukasse@wur.nl |
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date | Thu, 19 Mar 2015 12:22:23 +0100 |
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1 str(LC) | |
2 List of 4 | |
3 $ PeakTable :'data.frame': 1828 obs. of 12 variables: | |
4 ..$ ChemSpiderID : chr [1:1828] "" "" "" "" ... | |
5 ..$ compound : chr [1:1828] "" "" "" "" ... | |
6 ..$ pcgroup : num [1:1828] 187 226 226 226 226 226 226 306 154 154 ... | |
7 ..$ adduct : chr [1:1828] "" "" "" "" ... | |
8 ..$ isotopes : chr [1:1828] "" "" "" "" ... | |
9 ..$ mz : num [1:1828] 253 233 214 215 298 ... | |
10 ..$ rt : num [1:1828] 1.27 1.57 1.59 1.59 1.59 ... | |
11 ..$ CLASS2 : num [1:1828] 2 2 2 2 2 2 2 2 2 2 ... | |
12 ..$ STDmix_GC_01 : num [1:1828] 0 0 0 0 0 0 0 0 0 0 ... | |
13 ..$ STDmix_GC_02 : num [1:1828] 0 0 0 0 0 0 0 0 0 0 ... | |
14 ..$ STDmix_RP_pos01: num [1:1828] 144.5 32.6 58.5 38.4 152.3 ... | |
15 ..$ STDmix_RP_pos02: num [1:1828] 343.4 54.5 79.1 64.9 210.8 ... | |
16 $ xset :Formal class 'xsAnnotate' [package "CAMERA"] with 15 slots | |
17 .. ..@ groupInfo : num [1:1828, 1:13] 30.2 30.5 31.4 32.4 33.4 ... | |
18 .. .. ..- attr(*, "dimnames")=List of 2 | |
19 .. .. .. ..$ : NULL | |
20 .. .. .. ..$ : chr [1:13] "mz", "mzmin", "mzmax", "rt", "rtmin", "rtmax", "npeaks", "CLASS1", "CLASS2", "STDmix_GC_01", "STDmix_GC_02", "STDmix_RP_pos01", "STDmix_RP_pos02" | |
21 | |
22 and groups() function: | |
23 "mzmed", "mzmin", "mzmax", "rtmed", "rtmin", "rtmax", "npeaks", "CLASS1", "CLASS2" | |
24 | |
25 .. ..@ pspectra :List of 340 | |
26 .. .. ..$ : num [1:12] 2 4 5 10 11 13 14 15 16 38 ... | |
27 .. .. ..$ : num [1:11] 3 12 45 76 99 ... | |
28 .. .. ..$ : num [1:15] 7 8 9 113 162 ... | |
29 .. .. ..$ : Named num 1 | |
30 .. .. .. ..- attr(*, "names")= chr "" | |
31 .. .. ..$ : num [1:5] 6 150 473 478 802 | |
32 .. .. ..$ : num [1:5] 18 28 40 64 85 | |
33 .. .. ..$ : num [1:5] 89 528 533 596 872 | |
34 .. .. ..$ : num [1:2] 57 197 | |
35 .. .. ..$ : num [1:3] 174 708 841 | |
36 .. .. ..$ : Named num 23 | |
37 .. .. .. ..- attr(*, "names")= chr "" | |
38 .. .. ..$ : num [1:4] 21 34 496 1497 | |
39 .. .. ..$ : num [1:3] 29 30 44 | |
40 .. .. ..$ : num [1:5] 283 423 452 486 527 | |
41 .. .. ..$ : num [1:6] 93 126 251 296 349 406 | |
42 .. .. ..$ : num [1:3] 301 479 664 | |
43 .. .. ..$ : num [1:5] 47 105 111 191 237 | |
44 .. .. ..$ : num [1:5] 185 562 683 923 1548 | |
45 .. .. ..$ : num [1:2] 469 809 | |
46 .. .. ..$ : num [1:9] 24 146 548 550 1009 ... | |
47 .. .. ..$ : num [1:33] 65 72 134 139 196 200 235 299 355 361 ... | |
48 .. .. ..$ : num [1:2] 135 234 | |
49 .. .. ..$ : num [1:4] 95 326 330 465 | |
50 .. .. ..$ : num [1:2] 384 699 | |
51 .. .. ..$ : Named num 388 | |
52 .. .. .. ..- attr(*, "names")= chr "" | |
53 .. .. ..$ : Named num 249 | |
54 .. .. .. ..- attr(*, "names")= chr "" | |
55 .. .. ..$ : num [1:4] 425 485 636 698 | |
56 .. .. ..$ : Named num 482 | |
57 .. .. .. ..- attr(*, "names")= chr "" | |
58 .. .. ..$ : num [1:2] 310 429 | |
59 .. .. ..$ : num [1:97] 33 51 67 96 103 106 114 129 136 140 ... | |
60 .. .. ..$ : Named num 436 | |
61 .. .. .. ..- attr(*, "names")= chr "" | |
62 .. .. ..$ : num [1:3] 583 790 1029 | |
63 .. .. ..$ : Named num 593 | |
64 .. .. .. ..- attr(*, "names")= chr "" | |
65 .. .. ..$ : num [1:2] 558 745 | |
66 .. .. ..$ : Named num 543 | |
67 .. .. .. ..- attr(*, "names")= chr "" | |
68 .. .. ..$ : num [1:44] 43 60 101 121 124 179 211 214 257 263 ... | |
69 .. .. ..$ : num [1:2] 243 941 | |
70 .. .. ..$ : num [1:4] 657 996 1286 1344 | |
71 .. .. ..$ : num [1:21] 145 195 199 217 230 268 271 279 665 743 ... | |
72 .. .. ..$ : Named num 836 | |
73 .. .. .. ..- attr(*, "names")= chr "" | |
74 .. .. ..$ : Named num 694 | |
75 .. .. .. ..- attr(*, "names")= chr "" | |
76 .. .. ..$ : Named num 578 | |
77 .. .. .. ..- attr(*, "names")= chr "" | |
78 .. .. ..$ : Named num 612 | |
79 .. .. .. ..- attr(*, "names")= chr "" | |
80 .. .. ..$ : Named num 684 | |
81 .. .. .. ..- attr(*, "names")= chr "" | |
82 .. .. ..$ : num [1:18] 31 163 194 395 441 ... | |
83 .. .. ..$ : num [1:2] 79 282 | |
84 .. .. ..$ : Named num 297 | |
85 .. .. .. ..- attr(*, "names")= chr "" | |
86 .. .. ..$ : num [1:10] 167 169 281 284 750 ... | |
87 .. .. ..$ : num [1:30] 165 796 812 821 829 ... | |
88 .. .. ..$ : num [1:4] 112 566 733 1552 | |
89 .. .. ..$ : num [1:33] 42 63 68 90 92 102 125 130 133 137 ... | |
90 .. .. ..$ : num [1:14] 183 188 435 960 1036 ... | |
91 .. .. ..$ : Named num 763 | |
92 .. .. .. ..- attr(*, "names")= chr "" | |
93 .. .. ..$ : Named num 704 | |
94 .. .. .. ..- attr(*, "names")= chr "" | |
95 .. .. ..$ : num [1:2] 693 797 | |
96 .. .. ..$ : Named num 643 | |
97 .. .. .. ..- attr(*, "names")= chr "" | |
98 .. .. ..$ : num [1:45] 62 100 115 128 132 178 327 366 430 492 ... | |
99 .. .. ..$ : Named num 838 | |
100 .. .. .. ..- attr(*, "names")= chr "" | |
101 .. .. ..$ : Named num 653 | |
102 .. .. .. ..- attr(*, "names")= chr "" | |
103 .. .. ..$ : num [1:9] 182 186 1035 1040 1045 ... | |
104 .. .. ..$ : Named num 250 | |
105 .. .. .. ..- attr(*, "names")= chr "" | |
106 .. .. ..$ : num [1:2] 144 935 | |
107 .. .. ..$ : num [1:3] 32 1259 1394 | |
108 .. .. ..$ : Named num 77 | |
109 .. .. .. ..- attr(*, "names")= chr "" | |
110 .. .. ..$ : num [1:27] 19 46 49 107 110 157 159 233 265 314 ... | |
111 .. .. ..$ : num [1:4] 253 410 777 991 | |
112 .. .. ..$ : Named num 1031 | |
113 .. .. .. ..- attr(*, "names")= chr "" | |
114 .. .. ..$ : Named num 978 | |
115 .. .. .. ..- attr(*, "names")= chr "" | |
116 .. .. ..$ : num [1:22] 887 894 1023 1028 1037 ... | |
117 .. .. ..$ : num [1:5] 258 312 1669 1670 1694 | |
118 .. .. ..$ : num [1:19] 319 730 735 888 895 ... | |
119 .. .. ..$ : num [1:22] 55 164 541 617 649 656 661 668 753 766 ... | |
120 .. .. ..$ : num [1:7] 513 545 770 773 1080 ... | |
121 .. .. ..$ : num [1:4] 70 295 634 1665 | |
122 .. .. ..$ : num [1:3] 625 1447 1453 | |
123 .. .. ..$ : Named num 287 | |
124 .. .. .. ..- attr(*, "names")= chr "" | |
125 .. .. ..$ : num [1:2] 964 970 | |
126 .. .. ..$ : num [1:153] 20 22 36 37 39 53 56 58 59 61 ... | |
127 .. .. ..$ : num [1:9] 317 323 420 886 1022 ... | |
128 .. .. ..$ : Named num 149 | |
129 .. .. .. ..- attr(*, "names")= chr "" | |
130 .. .. ..$ : num [1:6] 487 549 609 623 728 ... | |
131 .. .. ..$ : num [1:6] 315 476 1265 1272 1634 ... | |
132 .. .. ..$ : num [1:5] 378 383 495 734 1063 | |
133 .. .. ..$ : num [1:10] 645 818 823 914 919 ... | |
134 .. .. ..$ : num [1:7] 815 1388 1457 1539 1555 ... | |
135 .. .. ..$ : Named num 1019 | |
136 .. .. .. ..- attr(*, "names")= chr "" | |
137 .. .. ..$ : num [1:6] 391 398 491 742 982 ... | |
138 .. .. ..$ : Named num 546 | |
139 .. .. .. ..- attr(*, "names")= chr "" | |
140 .. .. ..$ : num [1:12] 794 804 811 820 828 ... | |
141 .. .. ..$ : num [1:24] 1089 1475 1481 1484 1491 ... | |
142 .. .. ..$ : num [1:2] 148 151 | |
143 .. .. ..$ : num [1:33] 74 104 108 147 181 189 224 232 260 298 ... | |
144 .. .. ..$ : num [1:17] 293 332 394 447 449 552 619 622 680 805 ... | |
145 .. .. ..$ : Named num 309 | |
146 .. .. .. ..- attr(*, "names")= chr "" | |
147 .. .. ..$ : Named num 207 | |
148 .. .. .. ..- attr(*, "names")= chr "" | |
149 .. .. ..$ : Named num 584 | |
150 .. .. .. ..- attr(*, "names")= chr "" | |
151 .. .. ..$ : num [1:2] 637 865 | |
152 .. .. ..$ : Named num 143 | |
153 .. .. .. ..- attr(*, "names")= chr "" | |
154 .. .. ..$ : num [1:18] 1737 1738 1741 1757 1758 ... | |
155 .. .. ..$ : num [1:29] 261 352 360 363 402 408 416 419 456 507 ... | |
156 .. .. .. [list output truncated] | |
157 .. ..@ psSamples : int [1:340] 1 1 1 2 2 2 2 1 2 1 ... | |
158 .. ..@ isotopes :List of 1828 | |
159 .. .. ..$ : NULL | |
160 .. .. ..$ : NULL | |
161 .. .. ..$ : NULL | |
162 .. .. ..$ : NULL | |
163 .. .. ..$ : NULL | |
164 .. .. ..$ : NULL | |
165 .. .. ..$ : NULL | |
166 .. .. ..$ : NULL | |
167 .. .. ..$ : NULL | |
168 .. .. ..$ : NULL | |
169 .. .. ..$ : NULL | |
170 .. .. ..$ : NULL | |
171 .. .. ..$ : NULL | |
172 .. .. ..$ :List of 4 | |
173 .. .. .. ..$ y : num 1 | |
174 .. .. .. ..$ iso : num 0 | |
175 .. .. .. ..$ charge: Named num 1 | |
176 .. .. .. .. ..- attr(*, "names")= chr "charge" | |
177 .. .. .. ..$ val : Named num 0 | |
178 .. .. .. .. ..- attr(*, "names")= chr "intrinsic" | |
179 .. .. ..$ :List of 4 | |
180 .. .. .. ..$ y : num 1 | |
181 .. .. .. ..$ iso : Named num 1 | |
182 .. .. .. .. ..- attr(*, "names")= chr "iso" | |
183 .. .. .. ..$ charge: Named num 1 | |
184 .. .. .. .. ..- attr(*, "names")= chr "charge" | |
185 .. .. .. ..$ val : Named num 0 | |
186 .. .. .. .. ..- attr(*, "names")= chr "intrinsic" | |
187 .. .. ..$ : NULL | |
188 .. .. ..$ : NULL | |
189 .. .. ..$ : NULL | |
190 .. .. ..$ : NULL | |
191 .. .. ..$ : NULL | |
192 .. .. ..$ : NULL | |
193 .. .. ..$ : NULL | |
194 .. .. ..$ : NULL | |
195 .. .. ..$ : NULL | |
196 .. .. ..$ : NULL | |
197 .. .. ..$ : NULL | |
198 .. .. ..$ : NULL | |
199 .. .. ..$ : NULL | |
200 .. .. ..$ : NULL | |
201 .. .. ..$ : NULL | |
202 .. .. ..$ : NULL | |
203 .. .. ..$ : NULL | |
204 .. .. ..$ : NULL | |
205 .. .. ..$ : NULL | |
206 .. .. ..$ : NULL | |
207 .. .. ..$ : NULL | |
208 .. .. ..$ : NULL | |
209 .. .. ..$ : NULL | |
210 .. .. ..$ : NULL | |
211 .. .. ..$ : NULL | |
212 .. .. ..$ : NULL | |
213 .. .. ..$ : NULL | |
214 .. .. ..$ : NULL | |
215 .. .. ..$ : NULL | |
216 .. .. ..$ : NULL | |
217 .. .. ..$ : NULL | |
218 .. .. ..$ : NULL | |
219 .. .. ..$ : NULL | |
220 .. .. ..$ : NULL | |
221 .. .. ..$ : NULL | |
222 .. .. ..$ : NULL | |
223 .. .. ..$ : NULL | |
224 .. .. ..$ : NULL | |
225 .. .. ..$ : NULL | |
226 .. .. ..$ : NULL | |
227 .. .. ..$ : NULL | |
228 .. .. ..$ : NULL | |
229 .. .. ..$ : NULL | |
230 .. .. ..$ : NULL | |
231 .. .. ..$ : NULL | |
232 .. .. ..$ : NULL | |
233 .. .. ..$ : NULL | |
234 .. .. ..$ : NULL | |
235 .. .. ..$ : NULL | |
236 .. .. ..$ : NULL | |
237 .. .. ..$ : NULL | |
238 .. .. ..$ : NULL | |
239 .. .. ..$ : NULL | |
240 .. .. ..$ : NULL | |
241 .. .. ..$ : NULL | |
242 .. .. ..$ : NULL | |
243 .. .. ..$ : NULL | |
244 .. .. ..$ : NULL | |
245 .. .. ..$ : NULL | |
246 .. .. ..$ : NULL | |
247 .. .. ..$ : NULL | |
248 .. .. ..$ : NULL | |
249 .. .. ..$ : NULL | |
250 .. .. ..$ : NULL | |
251 .. .. ..$ : NULL | |
252 .. .. ..$ : NULL | |
253 .. .. ..$ : NULL | |
254 .. .. ..$ : NULL | |
255 .. .. ..$ : NULL | |
256 .. .. ..$ : NULL | |
257 .. .. ..$ : NULL | |
258 .. .. ..$ : NULL | |
259 .. .. ..$ : NULL | |
260 .. .. ..$ : NULL | |
261 .. .. ..$ :List of 4 | |
262 .. .. .. ..$ y : num 2 | |
263 .. .. .. ..$ iso : num 0 | |
264 .. .. .. ..$ charge: Named num 1 | |
265 .. .. .. .. ..- attr(*, "names")= chr "charge" | |
266 .. .. .. ..$ val : Named num 0 | |
267 .. .. .. .. ..- attr(*, "names")= chr "intrinsic" | |
268 .. .. ..$ : NULL | |
269 .. .. ..$ :List of 4 | |
270 .. .. .. ..$ y : num 2 | |
271 .. .. .. ..$ iso : Named num 1 | |
272 .. .. .. .. ..- attr(*, "names")= chr "iso" | |
273 .. .. .. ..$ charge: Named num 1 | |
274 .. .. .. .. ..- attr(*, "names")= chr "charge" | |
275 .. .. .. ..$ val : Named num 0 | |
276 .. .. .. .. ..- attr(*, "names")= chr "intrinsic" | |
277 .. .. ..$ : NULL | |
278 .. .. ..$ : NULL | |
279 .. .. ..$ : NULL | |
280 .. .. ..$ : NULL | |
281 .. .. ..$ : NULL | |
282 .. .. ..$ : NULL | |
283 .. .. ..$ : NULL | |
284 .. .. .. [list output truncated] | |
285 .. ..@ derivativeIons : list() | |
286 .. ..@ formula : list() | |
287 .. ..@ sample : num NA | |
288 .. ..@ xcmsSet :Formal class 'xcmsSet' [package "xcms"] with 12 slots | |
289 .. .. .. ..@ peaks : num [1:9826, 1:13] 30.2 30.5 31.4 32.4 33.3 ... | |
290 .. .. .. .. ..- attr(*, "dimnames")=List of 2 | |
291 .. .. .. .. .. ..$ : NULL | |
292 .. .. .. .. .. ..$ : chr [1:13] "mz", "mzmin", "mzmax", "rt", "rtmin", "rtmax", "into", "intf", "maxo", "maxf", "i", "sn", "sample" (found with dput) | |
293 From http://www.bioconductor.org/packages/release/bioc/manuals/xcms/man/xcms.pdf: | |
294 | |
295 mz weighted (by intensity) mean of peak m/z across scans | |
296 mzmin m/z of minimum step | |
297 mzmax m/z of maximum step | |
298 rt retention time of peak midpoint | |
299 rtmin leading edge of peak retention time | |
300 rtmax trailing edge of peak retention time | |
301 into integrated area of original (raw) peak | |
302 intf integrated area of filtered peak | |
303 maxo maximum intensity of original (raw) peak | |
304 maxf maximum intensity of filtered peak | |
305 i rank of peak identified in merged EIC (<= max) | |
306 sn signal to noise ratio of the peak | |
307 | |
308 .. .. .. ..@ groups : num [1:1828, 1:9] 30.2 30.5 31.4 32.4 33.4 ... | |
309 .. .. .. .. ..- attr(*, "dimnames")=List of 2 | |
310 .. .. .. .. .. ..$ : NULL | |
311 .. .. .. .. .. ..$ : chr [1:9] "mzmed" "mzmin" "mzmax" "rtmed" ... | |
312 .. .. .. ..@ groupidx :List of 1828 | |
313 .. .. .. .. ..$ : int [1:4] 1 674 9671 9749 | |
314 .. .. .. .. ..$ : int [1:4] 2 675 9672 9750 | |
315 .. .. .. .. ..$ : int [1:4] 3 676 9673 9751 | |
316 .. .. .. .. ..$ : int [1:4] 4 677 9674 9752 | |
317 .. .. .. .. ..$ : int [1:4] 6 678 9675 9753 | |
318 .. .. .. .. ..$ : int [1:4] 9 683 9676 9754 | |
319 .. .. .. .. ..$ : int [1:4] 11 684 9677 9755 | |
320 .. .. .. .. ..$ : int [1:4] 13 686 9678 9756 | |
321 .. .. .. .. ..$ : int [1:4] 17 688 9679 9757 | |
322 .. .. .. .. ..$ : int [1:4] 18 689 9680 9758 | |
323 .. .. .. .. ..$ : int [1:4] 19 691 9681 9759 | |
324 .. .. .. .. ..$ : int [1:4] 21 693 9682 9760 | |
325 .. .. .. .. ..$ : int [1:4] 23 695 9683 9761 | |
326 .. .. .. .. ..$ : int [1:4] 24 699 9684 9762 | |
327 .. .. .. .. ..$ : int [1:4] 26 700 9685 9763 | |
328 .. .. .. .. ..$ : int [1:4] 28 702 9686 9764 | |
329 .. .. .. .. ..$ : int [1:4] 1353 3930 6183 7926 | |
330 .. .. .. .. ..$ : int [1:4] 36 707 9687 9765 | |
331 .. .. .. .. ..$ : int [1:4] 1354 3931 6184 7927 | |
332 .. .. .. .. ..$ : int [1:4] 1355 3932 6185 7928 | |
333 .. .. .. .. ..$ : int [1:4] 39 712 9688 9766 | |
334 .. .. .. .. ..$ : int [1:4] 1356 3934 6186 7929 | |
335 .. .. .. .. ..$ : int [1:4] 40 714 9689 9767 | |
336 .. .. .. .. ..$ : int [1:4] 1358 3935 6187 7930 | |
337 .. .. .. .. ..$ : int [1:4] 1359 3936 6188 7931 | |
338 .. .. .. .. ..$ : int [1:4] 1361 3938 6189 7932 | |
339 .. .. .. .. ..$ : int [1:4] 1360 3937 6190 7933 | |
340 .. .. .. .. ..$ : int [1:4] 45 722 9690 9768 | |
341 .. .. .. .. ..$ : int [1:4] 54 735 9691 9769 | |
342 .. .. .. .. ..$ : int [1:4] 57 737 9692 9770 | |
343 .. .. .. .. ..$ : int [1:4] 1365 3939 6191 7934 | |
344 .. .. .. .. ..$ : int [1:4] 1364 3940 6192 7935 | |
345 .. .. .. .. ..$ : int [1:4] 1369 3941 6193 7936 | |
346 .. .. .. .. ..$ : int [1:4] 58 739 9693 9771 | |
347 .. .. .. .. ..$ : int [1:4] 1370 3942 6194 7937 | |
348 .. .. .. .. ..$ : int [1:4] 1371 3943 6195 7938 | |
349 .. .. .. .. ..$ : int [1:4] 1374 3944 6196 7939 | |
350 .. .. .. .. ..$ : int [1:4] 65 748 9694 9772 | |
351 .. .. .. .. ..$ : int [1:4] 1375 3946 6197 7940 | |
352 .. .. .. .. ..$ : int [1:4] 71 755 9695 9773 | |
353 .. .. .. .. ..$ : int [1:5] 72 756 1376 1377 3947 | |
354 .. .. .. .. ..$ : int [1:4] 1378 3948 6198 7941 | |
355 .. .. .. .. ..$ : int [1:4] 1379 3950 6199 7942 | |
356 .. .. .. .. ..$ : int [1:4] 74 758 9696 9774 | |
357 .. .. .. .. ..$ : int [1:4] 1381 3951 6200 7943 | |
358 .. .. .. .. ..$ : int [1:4] 1382 3952 6201 7944 | |
359 .. .. .. .. ..$ : int [1:4] 78 761 9697 9775 | |
360 .. .. .. .. ..$ : int [1:4] 1383 3955 6202 7945 | |
361 .. .. .. .. ..$ : int [1:4] 1384 3956 6203 7946 | |
362 .. .. .. .. ..$ : int [1:4] 1385 3957 6204 7947 | |
363 .. .. .. .. ..$ : int [1:4] 1387 3958 6205 7948 | |
364 .. .. .. .. ..$ : int [1:4] 1388 3959 6206 7949 | |
365 .. .. .. .. ..$ : int [1:4] 1389 3960 6207 7950 | |
366 .. .. .. .. ..$ : int [1:4] 1390 3962 6208 7951 | |
367 .. .. .. .. ..$ : int [1:4] 1391 3963 6209 7952 | |
368 .. .. .. .. ..$ : int [1:4] 1392 3965 6210 7953 | |
369 .. .. .. .. ..$ : int [1:4] 90 776 9698 9776 | |
370 .. .. .. .. ..$ : int [1:4] 1393 3966 6211 7954 | |
371 .. .. .. .. ..$ : int [1:4] 1394 3967 6212 7955 | |
372 .. .. .. .. ..$ : int [1:4] 1395 3968 6213 7956 | |
373 .. .. .. .. ..$ : int [1:4] 1397 3970 6214 7957 | |
374 .. .. .. .. ..$ : int [1:4] 1399 3972 6215 7958 | |
375 .. .. .. .. ..$ : int [1:4] 1398 3971 6216 7959 | |
376 .. .. .. .. ..$ : int [1:4] 101 788 9699 9777 | |
377 .. .. .. .. ..$ : int [1:4] 100 790 9700 9778 | |
378 .. .. .. .. ..$ : int [1:4] 1401 3973 6217 7960 | |
379 .. .. .. .. ..$ : int [1:4] 1403 3975 6218 7961 | |
380 .. .. .. .. ..$ : int [1:4] 1402 3974 6219 7962 | |
381 .. .. .. .. ..$ : int [1:4] 1404 3976 6220 7963 | |
382 .. .. .. .. ..$ : int [1:4] 1405 3977 6221 7964 | |
383 .. .. .. .. ..$ : int [1:4] 1406 3978 6222 7965 | |
384 .. .. .. .. ..$ : int [1:4] 1407 3979 6223 7966 | |
385 .. .. .. .. ..$ : int [1:4] 1408 3980 6224 7967 | |
386 .. .. .. .. ..$ : int [1:4] 1409 3981 6225 7968 | |
387 .. .. .. .. ..$ : int [1:4] 1412 3982 6226 7969 | |
388 .. .. .. .. ..$ : int [1:4] 1413 3983 6227 7970 | |
389 .. .. .. .. ..$ : int [1:4] 1414 3984 6228 7971 | |
390 .. .. .. .. ..$ : int [1:4] 1415 3985 6229 7972 | |
391 .. .. .. .. ..$ : int [1:4] 1417 3987 6230 7973 | |
392 .. .. .. .. ..$ : int [1:4] 1416 3988 6231 7974 | |
393 .. .. .. .. ..$ : int [1:4] 1419 3989 6232 7975 | |
394 .. .. .. .. ..$ : int [1:4] 1421 3991 6233 7976 | |
395 .. .. .. .. ..$ : int [1:4] 1420 3990 6234 7977 | |
396 .. .. .. .. ..$ : int [1:4] 1422 3992 6235 7978 | |
397 .. .. .. .. ..$ : int [1:4] 115 802 9701 9779 | |
398 .. .. .. .. ..$ : int [1:4] 1423 3993 6236 7979 | |
399 .. .. .. .. ..$ : int [1:4] 1425 3995 6237 7980 | |
400 .. .. .. .. ..$ : int [1:4] 1426 3996 6238 7981 | |
401 .. .. .. .. ..$ : int [1:4] 120 807 9702 9780 | |
402 .. .. .. .. ..$ : int [1:4] 1427 3997 6239 7982 | |
403 .. .. .. .. ..$ : int [1:4] 1430 3998 6240 7983 | |
404 .. .. .. .. ..$ : int [1:4] 1431 3999 6241 7984 | |
405 .. .. .. .. ..$ : int [1:4] 123 812 9703 9781 | |
406 .. .. .. .. ..$ : int [1:4] 1432 4000 6242 7985 | |
407 .. .. .. .. ..$ : int [1:4] 1433 4001 6243 7986 | |
408 .. .. .. .. ..$ : int [1:4] 1434 4002 6244 7987 | |
409 .. .. .. .. ..$ : int [1:4] 1436 4005 6245 7988 | |
410 .. .. .. .. ..$ : int [1:4] 1435 4004 6246 7989 | |
411 .. .. .. .. ..$ : int [1:4] 1437 4006 6247 7990 | |
412 .. .. .. .. .. [list output truncated] | |
413 .. .. .. ..@ filled : int [1:3644] 6183 6184 6185 6186 6187 6188 6189 6190 6191 6192 ... | |
414 .. .. .. ..@ phenoData :'data.frame': 4 obs. of 1 variable: | |
415 .. .. .. .. ..$ class: Factor w/ 2 levels "CLASS1","CLASS2": 1 1 2 2 | |
416 .. .. .. ..@ rt :List of 2 | |
417 .. .. .. .. ..$ raw :List of 4 | |
418 .. .. .. .. .. ..$ : num [1:10136] 194 194 194 194 195 ... | |
419 .. .. .. .. .. ..$ : num [1:10138] 194 194 194 194 195 ... | |
420 .. .. .. .. .. ..$ : num [1:2614] 3.46 4.75 6.04 7.32 8.61 ... | |
421 .. .. .. .. .. ..$ : num [1:2613] 3.47 4.77 6.06 7.37 8.66 ... | |
422 .. .. .. .. ..$ corrected:List of 4 | |
423 .. .. .. .. .. ..$ : num [1:10136] 168 169 169 169 169 ... | |
424 .. .. .. .. .. ..$ : num [1:10138] 157 158 158 158 158 ... | |
425 .. .. .. .. .. ..$ : num [1:2614] 40.5 41.8 43.1 44.4 45.7 ... | |
426 .. .. .. .. .. ..$ : num [1:2613] 40.7 42 43.3 44.6 45.9 ... | |
427 .. .. .. ..@ filepaths : chr [1:4] "E:/workspace/PRIMS-metabolomics/python-tools/tools/metaMS/test/zipOut/CLASS1/STDmix_GC_01.CDF" "E:/workspace/PRIMS-metabolomics/python-tools/tools/metaMS/test/zipOut/CLASS1/STDmix_GC_02.CDF" "E:/workspace/PRIMS-metabolomics/python-tools/tools/metaMS/test/zipOut/CLASS2/STDmix_RP_pos01.CDF" "E:/workspace/PRIMS-metabolomics/python-tools/tools/metaMS/test/zipOut/CLASS2/STDmix_RP_pos02.CDF" | |
428 .. .. .. ..@ profinfo :List of 2 | |
429 .. .. .. .. ..$ method: chr "bin" | |
430 .. .. .. .. ..$ step : num 0.05 | |
431 .. .. .. ..@ dataCorrection : int(0) | |
432 .. .. .. ..@ polarity : chr(0) | |
433 .. .. .. ..@ progressInfo :List of 12 | |
434 .. .. .. .. ..$ group.density : num 0 | |
435 .. .. .. .. ..$ group.mzClust : num 0 | |
436 .. .. .. .. ..$ group.nearest : num 0 | |
437 .. .. .. .. ..$ findPeaks.centWave : num 0 | |
438 .. .. .. .. ..$ findPeaks.massifquant : num 0 | |
439 .. .. .. .. ..$ findPeaks.matchedFilter: num 0 | |
440 .. .. .. .. ..$ findPeaks.MS1 : num 0 | |
441 .. .. .. .. ..$ findPeaks.MSW : num 0 | |
442 .. .. .. .. ..$ retcor.obiwarp : num 0 | |
443 .. .. .. .. ..$ retcor.peakgroups : num 0 | |
444 .. .. .. .. ..$ fillPeaks.chrom : num 0 | |
445 .. .. .. .. ..$ fillPeaks.MSW : num 0 | |
446 .. .. .. ..@ progressCallback:function (progress) | |
447 .. ..@ ruleset : NULL | |
448 .. ..@ annoID : logi[0 , 1:4] | |
449 .. .. ..- attr(*, "dimnames")=List of 2 | |
450 .. .. .. ..$ : NULL | |
451 .. .. .. ..$ : chr [1:4] "id" "grpID" "ruleID" "parentID" | |
452 .. ..@ annoGrp : logi[0 , 1:4] | |
453 .. .. ..- attr(*, "dimnames")=List of 2 | |
454 .. .. .. ..$ : NULL | |
455 .. .. .. ..$ : chr [1:4] "id" "mass" "ips" "psgrp" | |
456 .. ..@ isoID : num [1:315, 1:4] 14 90 107 121 134 137 148 152 157 170 ... | |
457 .. .. ..- attr(*, "dimnames")=List of 2 | |
458 .. .. .. ..$ : NULL | |
459 .. .. .. ..$ : chr [1:4] "mpeak" "isopeak" "iso" "charge" | |
460 .. ..@ polarity : chr "" | |
461 .. ..@ runParallel :List of 1 | |
462 .. .. ..$ enable: num 0 | |
463 .. ..@ .__classVersion__:Formal class 'Versions' [package "Biobase"] with 1 slots | |
464 .. .. .. ..@ .Data:List of 1 | |
465 .. .. .. .. ..$ : int [1:3] 1 13 333 | |
466 $ Annotation:List of 5 | |
467 ..$ annotation.table :'data.frame': 27 obs. of 13 variables: | |
468 .. ..$ feature : int [1:27] 190 193 195 206 208 209 212 367 368 371 ... | |
469 .. ..$ db_position : int [1:27] 21 22 23 21 23 24 22 1 2 4 ... | |
470 .. ..$ ChemSpiderID: int [1:27] 10463792 10463792 10463792 10463792 10463792 10463792 10463792 8711 8711 8711 ... | |
471 .. ..$ mz : num [1:27] 137 348 696 137 696 ... | |
472 .. ..$ rt : num [1:27] 10.8 10.8 10.8 11.2 11.2 ... | |
473 .. ..$ I : num [1:27] 10660 3754.5 32.4 5127 58.2 ... | |
474 .. ..$ compound : Factor w/ 4 levels "D-(+)-Catechin",..: 4 4 4 4 4 4 4 1 1 1 ... | |
475 .. ..$ db_mz : num [1:27] 137 348 696 137 696 ... | |
476 .. ..$ db_rt : num [1:27] 10.8 10.8 10.8 10.8 10.8 ... | |
477 .. ..$ db_I : num [1:27] 33.4 4478.7 58.2 33.4 58.2 ... | |
478 .. ..$ db_ann : Factor w/ 1 level "automatic": 1 1 1 1 1 1 1 1 1 1 ... | |
479 .. ..$ mz.err : num [1:27] 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 ... | |
480 .. ..$ clid : int [1:27] 1 1 1 2 2 2 2 2 2 2 ... | |
481 ..$ compounds : chr [1:4] "adenosine 2'-monophosphate" "D-(+)-Catechin" "malvidin-3-glucoside" "rutin " | |
482 ..$ ChemSpiderIDs : int [1:4] 10463792 8711 391785 4444362 | |
483 ..$ multiple.annotations: num(0) | |
484 ..$ ann.features : int [1:27] 190 193 195 206 208 209 212 367 368 371 ... | |
485 $ Settings :Formal class 'metaMSsettings' [package "metaMS"] with 30 slots | |
486 .. ..@ protocolName : chr "Synapt.QTOF.RP" | |
487 .. ..@ chrom : chr "LC" | |
488 .. ..@ PeakPicking :List of 5 | |
489 .. .. ..$ method : chr "matchedFilter" | |
490 .. .. ..$ step : num 0.05 | |
491 .. .. ..$ fwhm : num 20 | |
492 .. .. ..$ snthresh: num 4 | |
493 .. .. ..$ max : num 50 | |
494 .. ..@ Alignment :List of 9 | |
495 .. .. ..$ min.class.fraction: num 0.3 | |
496 .. .. ..$ min.class.size : num 3 | |
497 .. .. ..$ mzwid : num 0.1 | |
498 .. .. ..$ bws : num [1:2] 30 10 | |
499 .. .. ..$ missingratio : num 0.2 | |
500 .. .. ..$ extraratio : num 0.1 | |
501 .. .. ..$ retcormethod : chr "linear" | |
502 .. .. ..$ retcorfamily : chr "symmetric" | |
503 .. .. ..$ fillPeaks : logi TRUE | |
504 .. ..@ CAMERA :List of 3 | |
505 .. .. ..$ perfwhm : num 0.6 | |
506 .. .. ..$ cor_eic_th: num 0.7 | |
507 .. .. ..$ ppm : num 5 | |
508 .. ..@ match2DB.rtdiff : num 1.5 | |
509 .. ..@ match2DB.minfeat : num 2 | |
510 .. ..@ match2DB.rtval : num 0.1 | |
511 .. ..@ match2DB.mzdiff : num 0.005 | |
512 .. ..@ match2DB.ppm : num 5 | |
513 .. ..@ match2DB.simthresh : num(0) | |
514 .. ..@ match2DB.timeComparison : chr(0) | |
515 .. ..@ match2DB.RIdiff : num(0) | |
516 .. ..@ DBconstruction.minfeat : num(0) | |
517 .. ..@ DBconstruction.rttol : num(0) | |
518 .. ..@ DBconstruction.mztol : num(0) | |
519 .. ..@ DBconstruction.minintens : num(0) | |
520 .. ..@ DBconstruction.intensityMeasure : chr(0) | |
521 .. ..@ DBconstruction.DBthreshold : num(0) | |
522 .. ..@ matchIrrelevants.irrelevantClasses: chr(0) | |
523 .. ..@ matchIrrelevants.simthresh : num(0) | |
524 .. ..@ matchIrrelevants.timeComparison : chr(0) | |
525 .. ..@ matchIrrelevants.RIdiff : num(0) | |
526 .. ..@ matchIrrelevants.rtdiff : num(0) | |
527 .. ..@ betweenSamples.min.class.fraction : num(0) | |
528 .. ..@ betweenSamples.min.class.size : num(0) | |
529 .. ..@ betweenSamples.timeComparison : chr(0) | |
530 .. ..@ betweenSamples.rtdiff : num(0) | |
531 .. ..@ betweenSamples.RIdiff : num(0) | |
532 .. ..@ betweenSamples.simthresh : num(0) |