calculateFragments-methods: Calculate ions produced by fragmentation.
In MSnbase: Base Functions and Classes for Mass Spectrometry and Proteomics
Description
Arguments
Methods
Author(s)
Examples
Description
These method calculates a-, b-, c-, x-, y- and z-ions produced by
fragmentation.
Arguments
sequence
character, peptide sequence.
object
Object of class "Spectrum2" or
"missing" .
tolerance
numeric tolerance between the theoretical and
measured MZ values (only available if object is not missing).
method
method used for for duplicated matches. Choose
"highest" or "closest" to select the peak with the highest
intensity respectively the closest MZ in the tolerance range. If
"all" is given all possible matches in the tolerance range are
reported (only available if object is not missing).
type
character vector of target ions; possible values:
c("a", "b", "c", "x", "y", "z"); default: type=c("b", "y").
z
numeric desired charge state; default z=1.
modifications
named numeric vector of used modifications. The
name must correspond to the one-letter-code of the modified amino acid and
the numeric value must represent the mass that should be added to the
original amino accid mass, default:
Carbamidomethyl modifications=c(C=57.02146). Use Nterm or
Cterm as names for modifications that should be added to the amino
respectively carboxyl-terminus.
neutralLoss
list, it has to have two named elments,
namely water and ammonia that contain a
character vector which type of neutral loss should be calculated.
Currently neutral loss on the C terminal "Cterm", at the amino acids
c("D", "E", "S", "T") for "water" (shown with an _)
and c("K", "N", "Q", "R") for "ammonia" (shown with an
*) are supported.
There is a helper function defaultNeutralLoss that returns the
correct list. It has two arguments disableWaterLoss and
disableAmmoniaLoss to remove single neutral loss options. See the
example section for use cases.
verbose
logical if TRUE (default) the used
modifications are printed.
Methods
signature(sequence = "character", object = "missing", ...)-
Calculates the theoretical fragments for a peptide sequence.
Returns a data.frame with the columns c("mz", "ion", "type",
"pos", "z", "seq").
signature(sequence = "character", object = "Spectrum2", ...)-
Calculates and matches the theoretical fragments for a peptide
sequence and a "Spectrum2" object.
The ... arguments are passed to the internal functions.
Currently tolerance, method and relative are
supported.
You could change the tolerance (default 0.1) and
decide whether this tolerance should be applied relative to the target m/z
(relative = TRUE) or absolute (default relative = FALSE)
to match the theoretical fragment MZ with the MZ of the spectrum. When
(relative = TRUE) the mass tolerance window is set to target mz
+/- (target mz * tolerance) and target mz +/- tolerance otherwise.
In cases of multiple matches use method to select the peak with
the highest intensity (method = "highest", default) respectively
closest MZ (method = "closes"). If method = "all" is set
all possible matches in the current tolerance range are reported.
Returns the same data.frame as above but the mz column
represents the matched MZ values of the spectrum. Additionally there
is a column error that contains the difference between the observed
MZ (from the spectrum) to the theoretical fragment MZ.
Author(s)
Sebastian Gibb <mail@sebastiangibb.de>
Examples
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## find path to a mzXML file
file <- dir(system.file(package = "MSnbase", dir = "extdata"),
full.name = TRUE, pattern = "mzXML$")
## create basic MSnExp
msexp <- readMSData(file, centroided = FALSE)
## centroid them
msexp <- pickPeaks(msexp)
## calculate fragments for ACE with default modification
calculateFragments("ACE", modifications=c(C=57.02146))
## calculate fragments for ACE with an addition N-terminal modification
calculateFragments("ACE", modifications=c(C=57.02146, Nterm=229.1629))
## calculate fragments for ACE without any modifications
calculateFragments("ACE", modifications=NULL)
calculateFragments("VESITARHGEVLQLRPK",
type=c("a", "b", "c", "x", "y", "z"),
z=1:2)
calculateFragments("VESITARHGEVLQLRPK", msexp[[1]])
## neutral loss
defaultNeutralLoss()
## disable water loss on the C terminal
defaultNeutralLoss(disableWaterLoss="Cterm")
## real example
calculateFragments("PQR")
calculateFragments("PQR",
neutralLoss=defaultNeutralLoss(disableWaterLoss="Cterm"))
calculateFragments("PQR",
neutralLoss=defaultNeutralLoss(disableAmmoniaLoss="Q"))
## disable neutral loss completely
calculateFragments("PQR", neutralLoss=NULL)
Example output
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: ‘BiocGenerics’
The following objects are masked from ‘package:parallel’:
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from ‘package:stats’:
IQR, mad, sd, var, xtabs
The following objects are masked from ‘package:base’:
anyDuplicated, append, as.data.frame, basename, cbind, colnames,
dirname, do.call, duplicated, eval, evalq, Filter, Find, get, grep,
grepl, intersect, is.unsorted, lapply, Map, mapply, match, mget,
order, paste, pmax, pmax.int, pmin, pmin.int, Position, rank,
rbind, Reduce, rownames, sapply, setdiff, sort, table, tapply,
union, unique, unsplit, which.max, which.min
Loading required package: Biobase
Welcome to Bioconductor
Vignettes contain introductory material; view with
'browseVignettes()'. To cite Bioconductor, see
'citation("Biobase")', and for packages 'citation("pkgname")'.
Loading required package: mzR
Loading required package: Rcpp
Loading required package: S4Vectors
Loading required package: stats4
Attaching package: ‘S4Vectors’
The following object is masked from ‘package:base’:
expand.grid
Loading required package: ProtGenerics
Attaching package: ‘ProtGenerics’
The following object is masked from ‘package:stats’:
smooth
This is MSnbase version 2.16.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: ‘MSnbase’
The following object is masked from ‘package:base’:
trimws
mz ion type pos z seq
1 72.04439 b1 b 1 1 A
2 232.07504 b2 b 2 1 AC
3 148.06043 y1 y 1 1 E
4 308.09108 y2 y 2 1 CE
5 130.04987 y1_ y_ 1 1 E
6 290.08052 y2_ y_ 2 1 CE
mz ion type pos z seq
1 301.2073 b1 b 1 1 A
2 461.2379 b2 b 2 1 AC
3 148.0604 y1 y 1 1 E
4 308.0911 y2 y 2 1 CE
5 130.0499 y1_ y_ 1 1 E
6 290.0805 y2_ y_ 2 1 CE
mz ion type pos z seq
1 72.04439 b1 b 1 1 A
2 175.05358 b2 b 2 1 AC
3 148.06043 y1 y 1 1 E
4 251.06962 y2 y 2 1 CE
5 130.04987 y1_ y_ 1 1 E
6 233.05906 y2_ y_ 2 1 CE
mz ion type pos z seq
1 72.08077 a1 a 1 1 V
2 36.54402 a1 a 1 2 V
3 201.12336 a2 a 2 1 VE
4 101.06532 a2 a 2 2 VE
5 288.15539 a3 a 3 1 VES
6 144.58133 a3 a 3 2 VES
7 401.23945 a4 a 4 1 VESI
8 201.12336 a4 a 4 2 VESI
9 502.28713 a5 a 5 1 VESIT
10 251.64720 a5 a 5 2 VESIT
11 573.32424 a6 a 6 1 VESITA
12 287.16576 a6 a 6 2 VESITA
13 729.42535 a7 a 7 1 VESITAR
14 365.21631 a7 a 7 2 VESITAR
15 866.48426 a8 a 8 1 VESITARH
16 433.74577 a8 a 8 2 VESITARH
17 923.50572 a9 a 9 1 VESITARHG
18 462.25650 a9 a 9 2 VESITARHG
19 1052.54831 a10 a 10 1 VESITARHGE
20 526.77779 a10 a 10 2 VESITARHGE
21 1151.61672 a11 a 11 1 VESITARHGEV
22 576.31200 a11 a 11 2 VESITARHGEV
23 1264.70078 a12 a 12 1 VESITARHGEVL
24 632.85403 a12 a 12 2 VESITARHGEVL
25 1392.75936 a13 a 13 1 VESITARHGEVLQ
26 696.88332 a13 a 13 2 VESITARHGEVLQ
27 1505.84342 a14 a 14 1 VESITARHGEVLQL
28 753.42535 a14 a 14 2 VESITARHGEVLQL
29 1661.94453 a15 a 15 1 VESITARHGEVLQLR
30 831.47590 a15 a 15 2 VESITARHGEVLQLR
31 1758.99729 a16 a 16 1 VESITARHGEVLQLRP
32 880.00228 a16 a 16 2 VESITARHGEVLQLRP
33 100.07569 b1 b 1 1 V
34 50.54148 b1 b 1 2 V
35 229.11828 b2 b 2 1 VE
36 115.06278 b2 b 2 2 VE
37 316.15031 b3 b 3 1 VES
38 158.57879 b3 b 3 2 VES
39 429.23437 b4 b 4 1 VESI
40 215.12082 b4 b 4 2 VESI
41 530.28205 b5 b 5 1 VESIT
42 265.64466 b5 b 5 2 VESIT
43 601.31916 b6 b 6 1 VESITA
44 301.16322 b6 b 6 2 VESITA
45 757.42027 b7 b 7 1 VESITAR
46 379.21377 b7 b 7 2 VESITAR
47 894.47918 b8 b 8 1 VESITARH
48 447.74323 b8 b 8 2 VESITARH
49 951.50064 b9 b 9 1 VESITARHG
50 476.25396 b9 b 9 2 VESITARHG
51 1080.54323 b10 b 10 1 VESITARHGE
52 540.77525 b10 b 10 2 VESITARHGE
53 1179.61164 b11 b 11 1 VESITARHGEV
54 590.30946 b11 b 11 2 VESITARHGEV
55 1292.69570 b12 b 12 1 VESITARHGEVL
56 646.85149 b12 b 12 2 VESITARHGEVL
57 1420.75428 b13 b 13 1 VESITARHGEVLQ
58 710.88078 b13 b 13 2 VESITARHGEVLQ
59 1533.83834 b14 b 14 1 VESITARHGEVLQL
60 767.42281 b14 b 14 2 VESITARHGEVLQL
61 1689.93945 b15 b 15 1 VESITARHGEVLQLR
62 845.47336 b15 b 15 2 VESITARHGEVLQLR
63 1786.99221 b16 b 16 1 VESITARHGEVLQLRP
64 893.99974 b16 b 16 2 VESITARHGEVLQLRP
65 117.10224 c1 c 1 1 V
66 59.05476 c1 c 1 2 V
67 246.14482 c2 c 2 1 VE
68 123.57605 c2 c 2 2 VE
69 333.17685 c3 c 3 1 VES
70 167.09207 c3 c 3 2 VES
71 446.26091 c4 c 4 1 VESI
72 223.63410 c4 c 4 2 VESI
73 547.30860 c5 c 5 1 VESIT
74 274.15794 c5 c 5 2 VESIT
75 618.34571 c6 c 6 1 VESITA
76 309.67649 c6 c 6 2 VESITA
77 774.44682 c7 c 7 1 VESITAR
78 387.72705 c7 c 7 2 VESITAR
79 911.50573 c8 c 8 1 VESITARH
80 456.25650 c8 c 8 2 VESITARH
81 968.52719 c9 c 9 1 VESITARHG
82 484.76723 c9 c 9 2 VESITARHG
83 1097.56977 c10 c 10 1 VESITARHGE
84 549.28853 c10 c 10 2 VESITARHGE
85 1196.63819 c11 c 11 1 VESITARHGEV
86 598.82273 c11 c 11 2 VESITARHGEV
87 1309.72224 c12 c 12 1 VESITARHGEVL
88 655.36476 c12 c 12 2 VESITARHGEVL
89 1437.78083 c13 c 13 1 VESITARHGEVLQ
90 719.39405 c13 c 13 2 VESITARHGEVLQ
91 1550.86488 c14 c 14 1 VESITARHGEVLQL
92 775.93608 c14 c 14 2 VESITARHGEVLQL
93 1706.96600 c15 c 15 1 VESITARHGEVLQLR
94 853.98664 c15 c 15 2 VESITARHGEVLQLR
95 1804.01876 c16 c 16 1 VESITARHGEVLQLRP
96 902.51302 c16 c 16 2 VESITARHGEVLQLRP
97 173.09207 x1 x 1 1 K
98 87.04967 x1 x 1 2 K
99 270.14483 x2 x 2 1 PK
100 135.57605 x2 x 2 2 PK
101 426.24594 x3 x 3 1 RPK
102 213.62661 x3 x 3 2 RPK
103 539.33000 x4 x 4 1 LRPK
104 270.16864 x4 x 4 2 LRPK
105 667.38858 x5 x 5 1 QLRPK
106 334.19793 x5 x 5 2 QLRPK
107 780.47264 x6 x 6 1 LQLRPK
108 390.73996 x6 x 6 2 LQLRPK
109 879.54105 x7 x 7 1 VLQLRPK
110 440.27416 x7 x 7 2 VLQLRPK
111 1008.58364 x8 x 8 1 EVLQLRPK
112 504.79546 x8 x 8 2 EVLQLRPK
113 1065.60510 x9 x 9 1 GEVLQLRPK
114 533.30619 x9 x 9 2 GEVLQLRPK
115 1202.66401 x10 x 10 1 HGEVLQLRPK
116 601.83564 x10 x 10 2 HGEVLQLRPK
117 1358.76512 x11 x 11 1 RHGEVLQLRPK
118 679.88620 x11 x 11 2 RHGEVLQLRPK
119 1429.80223 x12 x 12 1 ARHGEVLQLRPK
120 715.40475 x12 x 12 2 ARHGEVLQLRPK
121 1530.84991 x13 x 13 1 TARHGEVLQLRPK
122 765.92859 x13 x 13 2 TARHGEVLQLRPK
123 1643.93397 x14 x 14 1 ITARHGEVLQLRPK
124 822.47062 x14 x 14 2 ITARHGEVLQLRPK
125 1730.96600 x15 x 15 1 SITARHGEVLQLRPK
126 865.98664 x15 x 15 2 SITARHGEVLQLRPK
127 1860.00859 x16 x 16 1 ESITARHGEVLQLRPK
128 930.50793 x16 x 16 2 ESITARHGEVLQLRPK
129 147.11280 y1 y 1 1 K
130 74.06004 y1 y 1 2 K
131 244.16556 y2 y 2 1 PK
132 122.58642 y2 y 2 2 PK
133 400.26667 y3 y 3 1 RPK
134 200.63697 y3 y 3 2 RPK
135 513.35073 y4 y 4 1 LRPK
136 257.17900 y4 y 4 2 LRPK
137 641.40931 y5 y 5 1 QLRPK
138 321.20829 y5 y 5 2 QLRPK
139 754.49337 y6 y 6 1 LQLRPK
140 377.75032 y6 y 6 2 LQLRPK
141 853.56178 y7 y 7 1 VLQLRPK
142 427.28453 y7 y 7 2 VLQLRPK
143 982.60437 y8 y 8 1 EVLQLRPK
144 491.80582 y8 y 8 2 EVLQLRPK
145 1039.62583 y9 y 9 1 GEVLQLRPK
146 520.31655 y9 y 9 2 GEVLQLRPK
147 1176.68474 y10 y 10 1 HGEVLQLRPK
148 588.84601 y10 y 10 2 HGEVLQLRPK
149 1332.78585 y11 y 11 1 RHGEVLQLRPK
150 666.89656 y11 y 11 2 RHGEVLQLRPK
151 1403.82296 y12 y 12 1 ARHGEVLQLRPK
152 702.41512 y12 y 12 2 ARHGEVLQLRPK
153 1504.87064 y13 y 13 1 TARHGEVLQLRPK
154 752.93896 y13 y 13 2 TARHGEVLQLRPK
155 1617.95470 y14 y 14 1 ITARHGEVLQLRPK
156 809.48099 y14 y 14 2 ITARHGEVLQLRPK
157 1704.98673 y15 y 15 1 SITARHGEVLQLRPK
158 852.99700 y15 y 15 2 SITARHGEVLQLRPK
159 1834.02932 y16 y 16 1 ESITARHGEVLQLRPK
160 917.51830 y16 y 16 2 ESITARHGEVLQLRPK
161 130.08625 z1 z 1 1 K
162 65.54676 z1 z 1 2 K
163 227.13901 z2 z 2 1 PK
164 114.07314 z2 z 2 2 PK
165 383.24012 z3 z 3 1 RPK
166 192.12370 z3 z 3 2 RPK
167 496.32418 z4 z 4 1 LRPK
168 248.66573 z4 z 4 2 LRPK
169 624.38276 z5 z 5 1 QLRPK
170 312.69502 z5 z 5 2 QLRPK
171 737.46682 z6 z 6 1 LQLRPK
172 369.23705 z6 z 6 2 LQLRPK
173 836.53523 z7 z 7 1 VLQLRPK
174 418.77125 z7 z 7 2 VLQLRPK
175 965.57782 z8 z 8 1 EVLQLRPK
176 483.29255 z8 z 8 2 EVLQLRPK
177 1022.59928 z9 z 9 1 GEVLQLRPK
178 511.80328 z9 z 9 2 GEVLQLRPK
179 1159.65819 z10 z 10 1 HGEVLQLRPK
180 580.33273 z10 z 10 2 HGEVLQLRPK
181 1315.75930 z11 z 11 1 RHGEVLQLRPK
182 658.38329 z11 z 11 2 RHGEVLQLRPK
183 1386.79641 z12 z 12 1 ARHGEVLQLRPK
184 693.90184 z12 z 12 2 ARHGEVLQLRPK
185 1487.84409 z13 z 13 1 TARHGEVLQLRPK
186 744.42568 z13 z 13 2 TARHGEVLQLRPK
187 1600.92815 z14 z 14 1 ITARHGEVLQLRPK
188 800.96771 z14 z 14 2 ITARHGEVLQLRPK
189 1687.96018 z15 z 15 1 SITARHGEVLQLRPK
190 844.48373 z15 z 15 2 SITARHGEVLQLRPK
191 1817.00277 z16 z 16 1 ESITARHGEVLQLRPK
192 909.00502 z16 z 16 2 ESITARHGEVLQLRPK
193 383.22889 a4_ a_ 4 1 VESI
194 183.11280 a4_ a_ 4 2 VESI
195 484.27657 a5_ a_ 5 1 VESIT
196 233.63664 a5_ a_ 5 2 VESIT
197 555.31368 a6_ a_ 6 1 VESITA
198 269.15519 a6_ a_ 6 2 VESITA
199 711.41479 a7_ a_ 7 1 VESITAR
200 347.20575 a7_ a_ 7 2 VESITAR
201 848.47370 a8_ a_ 8 1 VESITARH
202 415.73520 a8_ a_ 8 2 VESITARH
203 905.49516 a9_ a_ 9 1 VESITARHG
204 444.24593 a9_ a_ 9 2 VESITARHG
205 1034.53775 a10_ a_ 10 1 VESITARHGE
206 508.76723 a10_ a_ 10 2 VESITARHGE
207 1133.60616 a11_ a_ 11 1 VESITARHGEV
208 558.30143 a11_ a_ 11 2 VESITARHGEV
209 1246.69022 a12_ a_ 12 1 VESITARHGEVL
210 614.84346 a12_ a_ 12 2 VESITARHGEVL
211 1374.74880 a13_ a_ 13 1 VESITARHGEVLQ
212 678.87275 a13_ a_ 13 2 VESITARHGEVLQ
213 1487.83286 a14_ a_ 14 1 VESITARHGEVLQL
214 735.41478 a14_ a_ 14 2 VESITARHGEVLQL
215 1643.93397 a15_ a_ 15 1 VESITARHGEVLQLR
216 813.46534 a15_ a_ 15 2 VESITARHGEVLQLR
217 1740.98673 a16_ a_ 16 1 VESITARHGEVLQLRP
218 861.99172 a16_ a_ 16 2 VESITARHGEVLQLRP
219 411.22380 b4_ b_ 4 1 VESI
220 197.11026 b4_ b_ 4 2 VESI
221 512.27148 b5_ b_ 5 1 VESIT
222 247.63410 b5_ b_ 5 2 VESIT
223 583.30859 b6_ b_ 6 1 VESITA
224 283.15265 b6_ b_ 6 2 VESITA
225 739.40970 b7_ b_ 7 1 VESITAR
226 361.20321 b7_ b_ 7 2 VESITAR
227 876.46861 b8_ b_ 8 1 VESITARH
228 429.73266 b8_ b_ 8 2 VESITARH
229 933.49007 b9_ b_ 9 1 VESITARHG
230 458.24339 b9_ b_ 9 2 VESITARHG
231 1062.53266 b10_ b_ 10 1 VESITARHGE
232 522.76469 b10_ b_ 10 2 VESITARHGE
233 1161.60107 b11_ b_ 11 1 VESITARHGEV
234 572.29889 b11_ b_ 11 2 VESITARHGEV
235 1274.68513 b12_ b_ 12 1 VESITARHGEVL
236 628.84092 b12_ b_ 12 2 VESITARHGEVL
237 1402.74371 b13_ b_ 13 1 VESITARHGEVLQ
238 692.87021 b13_ b_ 13 2 VESITARHGEVLQ
239 1515.82777 b14_ b_ 14 1 VESITARHGEVLQL
240 749.41224 b14_ b_ 14 2 VESITARHGEVLQL
241 1671.92888 b15_ b_ 15 1 VESITARHGEVLQLR
242 827.46280 b15_ b_ 15 2 VESITARHGEVLQLR
243 1768.98164 b16_ b_ 16 1 VESITARHGEVLQLRP
244 875.98918 b16_ b_ 16 2 VESITARHGEVLQLRP
245 428.25035 c4_ c_ 4 1 VESI
246 205.62353 c4_ c_ 4 2 VESI
247 529.29803 c5_ c_ 5 1 VESIT
248 256.14737 c5_ c_ 5 2 VESIT
249 600.33514 c6_ c_ 6 1 VESITA
250 291.66593 c6_ c_ 6 2 VESITA
251 756.43625 c7_ c_ 7 1 VESITAR
252 369.71648 c7_ c_ 7 2 VESITAR
253 893.49516 c8_ c_ 8 1 VESITARH
254 438.24594 c8_ c_ 8 2 VESITARH
255 950.51662 c9_ c_ 9 1 VESITARHG
256 466.75667 c9_ c_ 9 2 VESITARHG
257 1079.55921 c10_ c_ 10 1 VESITARHGE
258 531.27796 c10_ c_ 10 2 VESITARHGE
259 1178.62762 c11_ c_ 11 1 VESITARHGEV
260 580.81217 c11_ c_ 11 2 VESITARHGEV
261 1291.71168 c12_ c_ 12 1 VESITARHGEVL
262 637.35420 c12_ c_ 12 2 VESITARHGEVL
263 1419.77026 c13_ c_ 13 1 VESITARHGEVLQ
264 701.38349 c13_ c_ 13 2 VESITARHGEVLQ
265 1532.85432 c14_ c_ 14 1 VESITARHGEVLQL
266 757.92552 c14_ c_ 14 2 VESITARHGEVLQL
267 1688.95543 c15_ c_ 15 1 VESITARHGEVLQLR
268 835.97607 c15_ c_ 15 2 VESITARHGEVLQLR
269 1786.00819 c16_ c_ 16 1 VESITARHGEVLQLRP
270 884.50245 c16_ c_ 16 2 VESITARHGEVLQLRP
271 990.57307 x8_ x_ 8 1 EVLQLRPK
272 486.78489 x8_ x_ 8 2 EVLQLRPK
273 1625.92340 x14_ x_ 14 1 ITARHGEVLQLRPK
274 804.46006 x14_ x_ 14 2 ITARHGEVLQLRPK
275 1712.95543 x15_ x_ 15 1 SITARHGEVLQLRPK
276 847.97607 x15_ x_ 15 2 SITARHGEVLQLRPK
277 1841.99802 x16_ x_ 16 1 ESITARHGEVLQLRPK
278 912.49737 x16_ x_ 16 2 ESITARHGEVLQLRPK
279 964.59381 y8_ y_ 8 1 EVLQLRPK
280 473.79526 y8_ y_ 8 2 EVLQLRPK
281 1599.94414 y14_ y_ 14 1 ITARHGEVLQLRPK
282 791.47042 y14_ y_ 14 2 ITARHGEVLQLRPK
283 1686.97617 y15_ y_ 15 1 SITARHGEVLQLRPK
284 834.98644 y15_ y_ 15 2 SITARHGEVLQLRPK
285 1816.01876 y16_ y_ 16 1 ESITARHGEVLQLRPK
286 899.50773 y16_ y_ 16 2 ESITARHGEVLQLRPK
287 947.56726 z8_ z_ 8 1 EVLQLRPK
288 465.28198 z8_ z_ 8 2 EVLQLRPK
289 1582.91759 z14_ z_ 14 1 ITARHGEVLQLRPK
290 782.95715 z14_ z_ 14 2 ITARHGEVLQLRPK
291 1669.94962 z15_ z_ 15 1 SITARHGEVLQLRPK
292 826.47316 z15_ z_ 15 2 SITARHGEVLQLRPK
293 1798.99221 z16_ z_ 16 1 ESITARHGEVLQLRPK
294 890.99446 z16_ z_ 16 2 ESITARHGEVLQLRPK
295 155.08150 x1_ x_ 1 1 K
296 69.03911 x1_ x_ 1 2 K
297 252.13426 x2_ x_ 2 1 PK
298 117.56549 x2_ x_ 2 2 PK
299 408.23537 x3_ x_ 3 1 RPK
300 195.61604 x3_ x_ 3 2 RPK
301 521.31943 x4_ x_ 4 1 LRPK
302 252.15807 x4_ x_ 4 2 LRPK
303 649.37801 x5_ x_ 5 1 QLRPK
304 316.18736 x5_ x_ 5 2 QLRPK
305 762.46207 x6_ x_ 6 1 LQLRPK
306 372.72939 x6_ x_ 6 2 LQLRPK
307 861.53048 x7_ x_ 7 1 VLQLRPK
308 422.26360 x7_ x_ 7 2 VLQLRPK
309 1047.59453 x9_ x_ 9 1 GEVLQLRPK
310 515.29562 x9_ x_ 9 2 GEVLQLRPK
311 1184.65344 x10_ x_ 10 1 HGEVLQLRPK
312 583.82508 x10_ x_ 10 2 HGEVLQLRPK
313 1340.75455 x11_ x_ 11 1 RHGEVLQLRPK
314 661.87563 x11_ x_ 11 2 RHGEVLQLRPK
315 1411.79166 x12_ x_ 12 1 ARHGEVLQLRPK
316 697.39419 x12_ x_ 12 2 ARHGEVLQLRPK
317 1512.83934 x13_ x_ 13 1 TARHGEVLQLRPK
318 747.91803 x13_ x_ 13 2 TARHGEVLQLRPK
319 129.10224 y1_ y_ 1 1 K
320 56.04947 y1_ y_ 1 2 K
321 226.15500 y2_ y_ 2 1 PK
322 104.57585 y2_ y_ 2 2 PK
323 382.25611 y3_ y_ 3 1 RPK
324 182.62641 y3_ y_ 3 2 RPK
325 495.34017 y4_ y_ 4 1 LRPK
326 239.16844 y4_ y_ 4 2 LRPK
327 623.39875 y5_ y_ 5 1 QLRPK
328 303.19773 y5_ y_ 5 2 QLRPK
329 736.48281 y6_ y_ 6 1 LQLRPK
330 359.73976 y6_ y_ 6 2 LQLRPK
331 835.55122 y7_ y_ 7 1 VLQLRPK
332 409.27396 y7_ y_ 7 2 VLQLRPK
333 1021.61527 y9_ y_ 9 1 GEVLQLRPK
334 502.30599 y9_ y_ 9 2 GEVLQLRPK
335 1158.67418 y10_ y_ 10 1 HGEVLQLRPK
336 570.83544 y10_ y_ 10 2 HGEVLQLRPK
337 1314.77529 y11_ y_ 11 1 RHGEVLQLRPK
338 648.88600 y11_ y_ 11 2 RHGEVLQLRPK
339 1385.81240 y12_ y_ 12 1 ARHGEVLQLRPK
340 684.40455 y12_ y_ 12 2 ARHGEVLQLRPK
341 1486.86008 y13_ y_ 13 1 TARHGEVLQLRPK
342 734.92839 y13_ y_ 13 2 TARHGEVLQLRPK
343 112.07569 z1_ z_ 1 1 K
344 47.53620 z1_ z_ 1 2 K
345 209.12845 z2_ z_ 2 1 PK
346 96.06258 z2_ z_ 2 2 PK
347 365.22956 z3_ z_ 3 1 RPK
348 174.11313 z3_ z_ 3 2 RPK
349 478.31362 z4_ z_ 4 1 LRPK
350 230.65516 z4_ z_ 4 2 LRPK
351 606.37220 z5_ z_ 5 1 QLRPK
352 294.68445 z5_ z_ 5 2 QLRPK
353 719.45626 z6_ z_ 6 1 LQLRPK
354 351.22648 z6_ z_ 6 2 LQLRPK
355 818.52467 z7_ z_ 7 1 VLQLRPK
356 400.76069 z7_ z_ 7 2 VLQLRPK
357 1004.58872 z9_ z_ 9 1 GEVLQLRPK
358 493.79271 z9_ z_ 9 2 GEVLQLRPK
359 1141.64763 z10_ z_ 10 1 HGEVLQLRPK
360 562.32217 z10_ z_ 10 2 HGEVLQLRPK
361 1297.74874 z11_ z_ 11 1 RHGEVLQLRPK
362 640.37272 z11_ z_ 11 2 RHGEVLQLRPK
363 1368.78585 z12_ z_ 12 1 ARHGEVLQLRPK
364 675.89128 z12_ z_ 12 2 ARHGEVLQLRPK
365 1469.83353 z13_ z_ 13 1 TARHGEVLQLRPK
366 726.41512 z13_ z_ 13 2 TARHGEVLQLRPK
367 849.45771 a8* a* 8 1 VESITARH
368 416.71922 a8* a* 8 2 VESITARH
369 906.47917 a9* a* 9 1 VESITARHG
370 445.22995 a9* a* 9 2 VESITARHG
371 1035.52176 a10* a* 10 1 VESITARHGE
372 509.75124 a10* a* 10 2 VESITARHGE
373 1134.59017 a11* a* 11 1 VESITARHGEV
374 559.28545 a11* a* 11 2 VESITARHGEV
375 1247.67423 a12* a* 12 1 VESITARHGEVL
376 615.82748 a12* a* 12 2 VESITARHGEVL
377 1375.73281 a13* a* 13 1 VESITARHGEVLQ
378 679.85677 a13* a* 13 2 VESITARHGEVLQ
379 1488.81687 a14* a* 14 1 VESITARHGEVLQL
380 736.39880 a14* a* 14 2 VESITARHGEVLQL
381 1644.91798 a15* a* 15 1 VESITARHGEVLQLR
382 814.44935 a15* a* 15 2 VESITARHGEVLQLR
383 1741.97074 a16* a* 16 1 VESITARHGEVLQLRP
384 862.97573 a16* a* 16 2 VESITARHGEVLQLRP
385 877.45263 b8* b* 8 1 VESITARH
386 430.71668 b8* b* 8 2 VESITARH
387 934.47409 b9* b* 9 1 VESITARHG
388 459.22741 b9* b* 9 2 VESITARHG
389 1063.51668 b10* b* 10 1 VESITARHGE
390 523.74870 b10* b* 10 2 VESITARHGE
391 1162.58509 b11* b* 11 1 VESITARHGEV
392 573.28291 b11* b* 11 2 VESITARHGEV
393 1275.66915 b12* b* 12 1 VESITARHGEVL
394 629.82494 b12* b* 12 2 VESITARHGEVL
395 1403.72773 b13* b* 13 1 VESITARHGEVLQ
396 693.85423 b13* b* 13 2 VESITARHGEVLQ
397 1516.81179 b14* b* 14 1 VESITARHGEVLQL
398 750.39626 b14* b* 14 2 VESITARHGEVLQL
399 1672.91290 b15* b* 15 1 VESITARHGEVLQLR
400 828.44681 b15* b* 15 2 VESITARHGEVLQLR
401 1769.96566 b16* b* 16 1 VESITARHGEVLQLRP
402 876.97319 b16* b* 16 2 VESITARHGEVLQLRP
403 894.47918 c8* c* 8 1 VESITARH
404 439.22995 c8* c* 8 2 VESITARH
405 951.50064 c9* c* 9 1 VESITARHG
406 467.74068 c9* c* 9 2 VESITARHG
407 1080.54323 c10* c* 10 1 VESITARHGE
408 532.26198 c10* c* 10 2 VESITARHGE
409 1179.61164 c11* c* 11 1 VESITARHGEV
410 581.79618 c11* c* 11 2 VESITARHGEV
411 1292.69570 c12* c* 12 1 VESITARHGEVL
412 638.33821 c12* c* 12 2 VESITARHGEVL
413 1420.75428 c13* c* 13 1 VESITARHGEVLQ
414 702.36750 c13* c* 13 2 VESITARHGEVLQ
415 1533.83834 c14* c* 14 1 VESITARHGEVLQL
416 758.90953 c14* c* 14 2 VESITARHGEVLQL
417 1689.93945 c15* c* 15 1 VESITARHGEVLQLR
418 836.96009 c15* c* 15 2 VESITARHGEVLQLR
419 1786.99221 c16* c* 16 1 VESITARHGEVLQLRP
420 885.48647 c16* c* 16 2 VESITARHGEVLQLRP
421 522.30345 x4* x* 4 1 LRPK
422 253.14209 x4* x* 4 2 LRPK
423 650.36203 x5* x* 5 1 QLRPK
424 317.17138 x5* x* 5 2 QLRPK
425 763.44609 x6* x* 6 1 LQLRPK
426 373.71341 x6* x* 6 2 LQLRPK
427 862.51450 x7* x* 7 1 VLQLRPK
428 423.24761 x7* x* 7 2 VLQLRPK
429 991.55709 x8* x* 8 1 EVLQLRPK
430 487.76891 x8* x* 8 2 EVLQLRPK
431 1048.57855 x9* x* 9 1 GEVLQLRPK
432 516.27964 x9* x* 9 2 GEVLQLRPK
433 1185.63746 x10* x* 10 1 HGEVLQLRPK
434 584.80909 x10* x* 10 2 HGEVLQLRPK
435 1341.73857 x11* x* 11 1 RHGEVLQLRPK
436 662.85965 x11* x* 11 2 RHGEVLQLRPK
437 1412.77568 x12* x* 12 1 ARHGEVLQLRPK
438 698.37820 x12* x* 12 2 ARHGEVLQLRPK
439 1513.82336 x13* x* 13 1 TARHGEVLQLRPK
440 748.90204 x13* x* 13 2 TARHGEVLQLRPK
441 1626.90742 x14* x* 14 1 ITARHGEVLQLRPK
442 805.44407 x14* x* 14 2 ITARHGEVLQLRPK
443 1713.93945 x15* x* 15 1 SITARHGEVLQLRPK
444 848.96009 x15* x* 15 2 SITARHGEVLQLRPK
445 1842.98204 x16* x* 16 1 ESITARHGEVLQLRPK
446 913.48138 x16* x* 16 2 ESITARHGEVLQLRPK
447 496.32418 y4* y* 4 1 LRPK
448 240.15245 y4* y* 4 2 LRPK
449 624.38276 y5* y* 5 1 QLRPK
450 304.18174 y5* y* 5 2 QLRPK
451 737.46682 y6* y* 6 1 LQLRPK
452 360.72377 y6* y* 6 2 LQLRPK
453 836.53523 y7* y* 7 1 VLQLRPK
454 410.25798 y7* y* 7 2 VLQLRPK
455 965.57782 y8* y* 8 1 EVLQLRPK
456 474.77927 y8* y* 8 2 EVLQLRPK
457 1022.59928 y9* y* 9 1 GEVLQLRPK
458 503.29000 y9* y* 9 2 GEVLQLRPK
459 1159.65819 y10* y* 10 1 HGEVLQLRPK
460 571.81946 y10* y* 10 2 HGEVLQLRPK
461 1315.75930 y11* y* 11 1 RHGEVLQLRPK
462 649.87001 y11* y* 11 2 RHGEVLQLRPK
463 1386.79641 y12* y* 12 1 ARHGEVLQLRPK
464 685.38857 y12* y* 12 2 ARHGEVLQLRPK
465 1487.84409 y13* y* 13 1 TARHGEVLQLRPK
466 735.91241 y13* y* 13 2 TARHGEVLQLRPK
467 1600.92815 y14* y* 14 1 ITARHGEVLQLRPK
468 792.45444 y14* y* 14 2 ITARHGEVLQLRPK
469 1687.96018 y15* y* 15 1 SITARHGEVLQLRPK
470 835.97045 y15* y* 15 2 SITARHGEVLQLRPK
471 1817.00277 y16* y* 16 1 ESITARHGEVLQLRPK
472 900.49175 y16* y* 16 2 ESITARHGEVLQLRPK
473 479.29763 z4* z* 4 1 LRPK
474 231.63918 z4* z* 4 2 LRPK
475 607.35621 z5* z* 5 1 QLRPK
476 295.66847 z5* z* 5 2 QLRPK
477 720.44027 z6* z* 6 1 LQLRPK
478 352.21050 z6* z* 6 2 LQLRPK
479 819.50868 z7* z* 7 1 VLQLRPK
480 401.74471 z7* z* 7 2 VLQLRPK
481 948.55127 z8* z* 8 1 EVLQLRPK
482 466.26600 z8* z* 8 2 EVLQLRPK
483 1005.57273 z9* z* 9 1 GEVLQLRPK
484 494.77673 z9* z* 9 2 GEVLQLRPK
485 1142.63164 z10* z* 10 1 HGEVLQLRPK
486 563.30619 z10* z* 10 2 HGEVLQLRPK
487 1298.73275 z11* z* 11 1 RHGEVLQLRPK
488 641.35674 z11* z* 11 2 RHGEVLQLRPK
489 1369.76986 z12* z* 12 1 ARHGEVLQLRPK
490 676.87530 z12* z* 12 2 ARHGEVLQLRPK
491 1470.81754 z13* z* 13 1 TARHGEVLQLRPK
492 727.39914 z13* z* 13 2 TARHGEVLQLRPK
493 1583.90160 z14* z* 14 1 ITARHGEVLQLRPK
494 783.94117 z14* z* 14 2 ITARHGEVLQLRPK
495 1670.93363 z15* z* 15 1 SITARHGEVLQLRPK
496 827.45718 z15* z* 15 2 SITARHGEVLQLRPK
497 1799.97622 z16* z* 16 1 ESITARHGEVLQLRPK
498 891.97848 z16* z* 16 2 ESITARHGEVLQLRPK
mz intensity ion type pos z seq error
1 429.2563 1972344.0 b4 b 4 1 VESI -0.02189010
2 512.3044 684918.0 b5_ b_ 5 1 VESIT -0.03290132
3 513.3047 2574137.0 y4 y 4 1 LRPK 0.04598246
4 583.3300 1440833.8 b6_ b_ 6 1 VESITA -0.02142609
5 754.4504 537234.8 y6 y 6 1 LQLRPK 0.04293155
6 982.5354 500159.1 y8 y 8 1 EVLQLRPK 0.06897061
7 1080.5867 209363.7 b10 b 10 1 VESITARHGE -0.04344392
8 1688.0375 136748.8 y15* y* 15 1 SITARHGEVLQLRPK -0.07729359
$water
[1] "Cterm" "D" "E" "S" "T"
$ammonia
[1] "K" "N" "Q" "R"
$water
[1] "D" "E" "S" "T"
$ammonia
[1] "K" "N" "Q" "R"
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 157.10839 y1_ y_ 1 1 R
6 285.16697 y2_ y_ 2 1 QR
7 286.15098 y2* y* 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 286.15098 y2* y* 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 157.10839 y1_ y_ 1 1 R
6 285.16697 y2_ y_ 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
MSnbase documentation built on Jan. 23, 2021, 2 a.m.
R Package Documentation
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Description Arguments Methods Author(s) Examples
Description
These method calculates a-, b-, c-, x-, y- and z-ions produced by fragmentation.
Arguments
sequence |
|
object |
Object of class |
tolerance |
|
method |
|
type |
|
z |
|
modifications |
named |
neutralLoss |
|
verbose |
|
Methods
signature(sequence = "character", object = "missing", ...)-
Calculates the theoretical fragments for a peptide
sequence. Returns adata.framewith the columnsc("mz", "ion", "type", "pos", "z", "seq"). signature(sequence = "character", object = "Spectrum2", ...)-
Calculates and matches the theoretical fragments for a peptide
sequenceand a"Spectrum2"object. The...arguments are passed to the internal functions. Currentlytolerance,methodandrelativeare supported. You could change thetolerance(default0.1) and decide whether this tolerance should be applied relative to the target m/z (relative = TRUE) or absolute (defaultrelative = FALSE) to match the theoretical fragment MZ with the MZ of the spectrum. When (relative = TRUE) the mass tolerance window is set totarget mz +/- (target mz * tolerance)andtarget mz +/- toleranceotherwise. In cases of multiple matches usemethodto select the peak with the highest intensity (method = "highest", default) respectively closest MZ (method = "closes"). Ifmethod = "all"is set all possible matches in the current tolerance range are reported. Returns the samedata.frameas above but themzcolumn represents the matched MZ values of the spectrum. Additionally there is a columnerrorthat contains the difference between the observed MZ (from the spectrum) to the theoretical fragment MZ.
Author(s)
Sebastian Gibb <mail@sebastiangibb.de>
Examples
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | ## find path to a mzXML file
file <- dir(system.file(package = "MSnbase", dir = "extdata"),
full.name = TRUE, pattern = "mzXML$")
## create basic MSnExp
msexp <- readMSData(file, centroided = FALSE)
## centroid them
msexp <- pickPeaks(msexp)
## calculate fragments for ACE with default modification
calculateFragments("ACE", modifications=c(C=57.02146))
## calculate fragments for ACE with an addition N-terminal modification
calculateFragments("ACE", modifications=c(C=57.02146, Nterm=229.1629))
## calculate fragments for ACE without any modifications
calculateFragments("ACE", modifications=NULL)
calculateFragments("VESITARHGEVLQLRPK",
type=c("a", "b", "c", "x", "y", "z"),
z=1:2)
calculateFragments("VESITARHGEVLQLRPK", msexp[[1]])
## neutral loss
defaultNeutralLoss()
## disable water loss on the C terminal
defaultNeutralLoss(disableWaterLoss="Cterm")
## real example
calculateFragments("PQR")
calculateFragments("PQR",
neutralLoss=defaultNeutralLoss(disableWaterLoss="Cterm"))
calculateFragments("PQR",
neutralLoss=defaultNeutralLoss(disableAmmoniaLoss="Q"))
## disable neutral loss completely
calculateFragments("PQR", neutralLoss=NULL)
|
Example output
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: ‘BiocGenerics’
The following objects are masked from ‘package:parallel’:
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from ‘package:stats’:
IQR, mad, sd, var, xtabs
The following objects are masked from ‘package:base’:
anyDuplicated, append, as.data.frame, basename, cbind, colnames,
dirname, do.call, duplicated, eval, evalq, Filter, Find, get, grep,
grepl, intersect, is.unsorted, lapply, Map, mapply, match, mget,
order, paste, pmax, pmax.int, pmin, pmin.int, Position, rank,
rbind, Reduce, rownames, sapply, setdiff, sort, table, tapply,
union, unique, unsplit, which.max, which.min
Loading required package: Biobase
Welcome to Bioconductor
Vignettes contain introductory material; view with
'browseVignettes()'. To cite Bioconductor, see
'citation("Biobase")', and for packages 'citation("pkgname")'.
Loading required package: mzR
Loading required package: Rcpp
Loading required package: S4Vectors
Loading required package: stats4
Attaching package: ‘S4Vectors’
The following object is masked from ‘package:base’:
expand.grid
Loading required package: ProtGenerics
Attaching package: ‘ProtGenerics’
The following object is masked from ‘package:stats’:
smooth
This is MSnbase version 2.16.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: ‘MSnbase’
The following object is masked from ‘package:base’:
trimws
mz ion type pos z seq
1 72.04439 b1 b 1 1 A
2 232.07504 b2 b 2 1 AC
3 148.06043 y1 y 1 1 E
4 308.09108 y2 y 2 1 CE
5 130.04987 y1_ y_ 1 1 E
6 290.08052 y2_ y_ 2 1 CE
mz ion type pos z seq
1 301.2073 b1 b 1 1 A
2 461.2379 b2 b 2 1 AC
3 148.0604 y1 y 1 1 E
4 308.0911 y2 y 2 1 CE
5 130.0499 y1_ y_ 1 1 E
6 290.0805 y2_ y_ 2 1 CE
mz ion type pos z seq
1 72.04439 b1 b 1 1 A
2 175.05358 b2 b 2 1 AC
3 148.06043 y1 y 1 1 E
4 251.06962 y2 y 2 1 CE
5 130.04987 y1_ y_ 1 1 E
6 233.05906 y2_ y_ 2 1 CE
mz ion type pos z seq
1 72.08077 a1 a 1 1 V
2 36.54402 a1 a 1 2 V
3 201.12336 a2 a 2 1 VE
4 101.06532 a2 a 2 2 VE
5 288.15539 a3 a 3 1 VES
6 144.58133 a3 a 3 2 VES
7 401.23945 a4 a 4 1 VESI
8 201.12336 a4 a 4 2 VESI
9 502.28713 a5 a 5 1 VESIT
10 251.64720 a5 a 5 2 VESIT
11 573.32424 a6 a 6 1 VESITA
12 287.16576 a6 a 6 2 VESITA
13 729.42535 a7 a 7 1 VESITAR
14 365.21631 a7 a 7 2 VESITAR
15 866.48426 a8 a 8 1 VESITARH
16 433.74577 a8 a 8 2 VESITARH
17 923.50572 a9 a 9 1 VESITARHG
18 462.25650 a9 a 9 2 VESITARHG
19 1052.54831 a10 a 10 1 VESITARHGE
20 526.77779 a10 a 10 2 VESITARHGE
21 1151.61672 a11 a 11 1 VESITARHGEV
22 576.31200 a11 a 11 2 VESITARHGEV
23 1264.70078 a12 a 12 1 VESITARHGEVL
24 632.85403 a12 a 12 2 VESITARHGEVL
25 1392.75936 a13 a 13 1 VESITARHGEVLQ
26 696.88332 a13 a 13 2 VESITARHGEVLQ
27 1505.84342 a14 a 14 1 VESITARHGEVLQL
28 753.42535 a14 a 14 2 VESITARHGEVLQL
29 1661.94453 a15 a 15 1 VESITARHGEVLQLR
30 831.47590 a15 a 15 2 VESITARHGEVLQLR
31 1758.99729 a16 a 16 1 VESITARHGEVLQLRP
32 880.00228 a16 a 16 2 VESITARHGEVLQLRP
33 100.07569 b1 b 1 1 V
34 50.54148 b1 b 1 2 V
35 229.11828 b2 b 2 1 VE
36 115.06278 b2 b 2 2 VE
37 316.15031 b3 b 3 1 VES
38 158.57879 b3 b 3 2 VES
39 429.23437 b4 b 4 1 VESI
40 215.12082 b4 b 4 2 VESI
41 530.28205 b5 b 5 1 VESIT
42 265.64466 b5 b 5 2 VESIT
43 601.31916 b6 b 6 1 VESITA
44 301.16322 b6 b 6 2 VESITA
45 757.42027 b7 b 7 1 VESITAR
46 379.21377 b7 b 7 2 VESITAR
47 894.47918 b8 b 8 1 VESITARH
48 447.74323 b8 b 8 2 VESITARH
49 951.50064 b9 b 9 1 VESITARHG
50 476.25396 b9 b 9 2 VESITARHG
51 1080.54323 b10 b 10 1 VESITARHGE
52 540.77525 b10 b 10 2 VESITARHGE
53 1179.61164 b11 b 11 1 VESITARHGEV
54 590.30946 b11 b 11 2 VESITARHGEV
55 1292.69570 b12 b 12 1 VESITARHGEVL
56 646.85149 b12 b 12 2 VESITARHGEVL
57 1420.75428 b13 b 13 1 VESITARHGEVLQ
58 710.88078 b13 b 13 2 VESITARHGEVLQ
59 1533.83834 b14 b 14 1 VESITARHGEVLQL
60 767.42281 b14 b 14 2 VESITARHGEVLQL
61 1689.93945 b15 b 15 1 VESITARHGEVLQLR
62 845.47336 b15 b 15 2 VESITARHGEVLQLR
63 1786.99221 b16 b 16 1 VESITARHGEVLQLRP
64 893.99974 b16 b 16 2 VESITARHGEVLQLRP
65 117.10224 c1 c 1 1 V
66 59.05476 c1 c 1 2 V
67 246.14482 c2 c 2 1 VE
68 123.57605 c2 c 2 2 VE
69 333.17685 c3 c 3 1 VES
70 167.09207 c3 c 3 2 VES
71 446.26091 c4 c 4 1 VESI
72 223.63410 c4 c 4 2 VESI
73 547.30860 c5 c 5 1 VESIT
74 274.15794 c5 c 5 2 VESIT
75 618.34571 c6 c 6 1 VESITA
76 309.67649 c6 c 6 2 VESITA
77 774.44682 c7 c 7 1 VESITAR
78 387.72705 c7 c 7 2 VESITAR
79 911.50573 c8 c 8 1 VESITARH
80 456.25650 c8 c 8 2 VESITARH
81 968.52719 c9 c 9 1 VESITARHG
82 484.76723 c9 c 9 2 VESITARHG
83 1097.56977 c10 c 10 1 VESITARHGE
84 549.28853 c10 c 10 2 VESITARHGE
85 1196.63819 c11 c 11 1 VESITARHGEV
86 598.82273 c11 c 11 2 VESITARHGEV
87 1309.72224 c12 c 12 1 VESITARHGEVL
88 655.36476 c12 c 12 2 VESITARHGEVL
89 1437.78083 c13 c 13 1 VESITARHGEVLQ
90 719.39405 c13 c 13 2 VESITARHGEVLQ
91 1550.86488 c14 c 14 1 VESITARHGEVLQL
92 775.93608 c14 c 14 2 VESITARHGEVLQL
93 1706.96600 c15 c 15 1 VESITARHGEVLQLR
94 853.98664 c15 c 15 2 VESITARHGEVLQLR
95 1804.01876 c16 c 16 1 VESITARHGEVLQLRP
96 902.51302 c16 c 16 2 VESITARHGEVLQLRP
97 173.09207 x1 x 1 1 K
98 87.04967 x1 x 1 2 K
99 270.14483 x2 x 2 1 PK
100 135.57605 x2 x 2 2 PK
101 426.24594 x3 x 3 1 RPK
102 213.62661 x3 x 3 2 RPK
103 539.33000 x4 x 4 1 LRPK
104 270.16864 x4 x 4 2 LRPK
105 667.38858 x5 x 5 1 QLRPK
106 334.19793 x5 x 5 2 QLRPK
107 780.47264 x6 x 6 1 LQLRPK
108 390.73996 x6 x 6 2 LQLRPK
109 879.54105 x7 x 7 1 VLQLRPK
110 440.27416 x7 x 7 2 VLQLRPK
111 1008.58364 x8 x 8 1 EVLQLRPK
112 504.79546 x8 x 8 2 EVLQLRPK
113 1065.60510 x9 x 9 1 GEVLQLRPK
114 533.30619 x9 x 9 2 GEVLQLRPK
115 1202.66401 x10 x 10 1 HGEVLQLRPK
116 601.83564 x10 x 10 2 HGEVLQLRPK
117 1358.76512 x11 x 11 1 RHGEVLQLRPK
118 679.88620 x11 x 11 2 RHGEVLQLRPK
119 1429.80223 x12 x 12 1 ARHGEVLQLRPK
120 715.40475 x12 x 12 2 ARHGEVLQLRPK
121 1530.84991 x13 x 13 1 TARHGEVLQLRPK
122 765.92859 x13 x 13 2 TARHGEVLQLRPK
123 1643.93397 x14 x 14 1 ITARHGEVLQLRPK
124 822.47062 x14 x 14 2 ITARHGEVLQLRPK
125 1730.96600 x15 x 15 1 SITARHGEVLQLRPK
126 865.98664 x15 x 15 2 SITARHGEVLQLRPK
127 1860.00859 x16 x 16 1 ESITARHGEVLQLRPK
128 930.50793 x16 x 16 2 ESITARHGEVLQLRPK
129 147.11280 y1 y 1 1 K
130 74.06004 y1 y 1 2 K
131 244.16556 y2 y 2 1 PK
132 122.58642 y2 y 2 2 PK
133 400.26667 y3 y 3 1 RPK
134 200.63697 y3 y 3 2 RPK
135 513.35073 y4 y 4 1 LRPK
136 257.17900 y4 y 4 2 LRPK
137 641.40931 y5 y 5 1 QLRPK
138 321.20829 y5 y 5 2 QLRPK
139 754.49337 y6 y 6 1 LQLRPK
140 377.75032 y6 y 6 2 LQLRPK
141 853.56178 y7 y 7 1 VLQLRPK
142 427.28453 y7 y 7 2 VLQLRPK
143 982.60437 y8 y 8 1 EVLQLRPK
144 491.80582 y8 y 8 2 EVLQLRPK
145 1039.62583 y9 y 9 1 GEVLQLRPK
146 520.31655 y9 y 9 2 GEVLQLRPK
147 1176.68474 y10 y 10 1 HGEVLQLRPK
148 588.84601 y10 y 10 2 HGEVLQLRPK
149 1332.78585 y11 y 11 1 RHGEVLQLRPK
150 666.89656 y11 y 11 2 RHGEVLQLRPK
151 1403.82296 y12 y 12 1 ARHGEVLQLRPK
152 702.41512 y12 y 12 2 ARHGEVLQLRPK
153 1504.87064 y13 y 13 1 TARHGEVLQLRPK
154 752.93896 y13 y 13 2 TARHGEVLQLRPK
155 1617.95470 y14 y 14 1 ITARHGEVLQLRPK
156 809.48099 y14 y 14 2 ITARHGEVLQLRPK
157 1704.98673 y15 y 15 1 SITARHGEVLQLRPK
158 852.99700 y15 y 15 2 SITARHGEVLQLRPK
159 1834.02932 y16 y 16 1 ESITARHGEVLQLRPK
160 917.51830 y16 y 16 2 ESITARHGEVLQLRPK
161 130.08625 z1 z 1 1 K
162 65.54676 z1 z 1 2 K
163 227.13901 z2 z 2 1 PK
164 114.07314 z2 z 2 2 PK
165 383.24012 z3 z 3 1 RPK
166 192.12370 z3 z 3 2 RPK
167 496.32418 z4 z 4 1 LRPK
168 248.66573 z4 z 4 2 LRPK
169 624.38276 z5 z 5 1 QLRPK
170 312.69502 z5 z 5 2 QLRPK
171 737.46682 z6 z 6 1 LQLRPK
172 369.23705 z6 z 6 2 LQLRPK
173 836.53523 z7 z 7 1 VLQLRPK
174 418.77125 z7 z 7 2 VLQLRPK
175 965.57782 z8 z 8 1 EVLQLRPK
176 483.29255 z8 z 8 2 EVLQLRPK
177 1022.59928 z9 z 9 1 GEVLQLRPK
178 511.80328 z9 z 9 2 GEVLQLRPK
179 1159.65819 z10 z 10 1 HGEVLQLRPK
180 580.33273 z10 z 10 2 HGEVLQLRPK
181 1315.75930 z11 z 11 1 RHGEVLQLRPK
182 658.38329 z11 z 11 2 RHGEVLQLRPK
183 1386.79641 z12 z 12 1 ARHGEVLQLRPK
184 693.90184 z12 z 12 2 ARHGEVLQLRPK
185 1487.84409 z13 z 13 1 TARHGEVLQLRPK
186 744.42568 z13 z 13 2 TARHGEVLQLRPK
187 1600.92815 z14 z 14 1 ITARHGEVLQLRPK
188 800.96771 z14 z 14 2 ITARHGEVLQLRPK
189 1687.96018 z15 z 15 1 SITARHGEVLQLRPK
190 844.48373 z15 z 15 2 SITARHGEVLQLRPK
191 1817.00277 z16 z 16 1 ESITARHGEVLQLRPK
192 909.00502 z16 z 16 2 ESITARHGEVLQLRPK
193 383.22889 a4_ a_ 4 1 VESI
194 183.11280 a4_ a_ 4 2 VESI
195 484.27657 a5_ a_ 5 1 VESIT
196 233.63664 a5_ a_ 5 2 VESIT
197 555.31368 a6_ a_ 6 1 VESITA
198 269.15519 a6_ a_ 6 2 VESITA
199 711.41479 a7_ a_ 7 1 VESITAR
200 347.20575 a7_ a_ 7 2 VESITAR
201 848.47370 a8_ a_ 8 1 VESITARH
202 415.73520 a8_ a_ 8 2 VESITARH
203 905.49516 a9_ a_ 9 1 VESITARHG
204 444.24593 a9_ a_ 9 2 VESITARHG
205 1034.53775 a10_ a_ 10 1 VESITARHGE
206 508.76723 a10_ a_ 10 2 VESITARHGE
207 1133.60616 a11_ a_ 11 1 VESITARHGEV
208 558.30143 a11_ a_ 11 2 VESITARHGEV
209 1246.69022 a12_ a_ 12 1 VESITARHGEVL
210 614.84346 a12_ a_ 12 2 VESITARHGEVL
211 1374.74880 a13_ a_ 13 1 VESITARHGEVLQ
212 678.87275 a13_ a_ 13 2 VESITARHGEVLQ
213 1487.83286 a14_ a_ 14 1 VESITARHGEVLQL
214 735.41478 a14_ a_ 14 2 VESITARHGEVLQL
215 1643.93397 a15_ a_ 15 1 VESITARHGEVLQLR
216 813.46534 a15_ a_ 15 2 VESITARHGEVLQLR
217 1740.98673 a16_ a_ 16 1 VESITARHGEVLQLRP
218 861.99172 a16_ a_ 16 2 VESITARHGEVLQLRP
219 411.22380 b4_ b_ 4 1 VESI
220 197.11026 b4_ b_ 4 2 VESI
221 512.27148 b5_ b_ 5 1 VESIT
222 247.63410 b5_ b_ 5 2 VESIT
223 583.30859 b6_ b_ 6 1 VESITA
224 283.15265 b6_ b_ 6 2 VESITA
225 739.40970 b7_ b_ 7 1 VESITAR
226 361.20321 b7_ b_ 7 2 VESITAR
227 876.46861 b8_ b_ 8 1 VESITARH
228 429.73266 b8_ b_ 8 2 VESITARH
229 933.49007 b9_ b_ 9 1 VESITARHG
230 458.24339 b9_ b_ 9 2 VESITARHG
231 1062.53266 b10_ b_ 10 1 VESITARHGE
232 522.76469 b10_ b_ 10 2 VESITARHGE
233 1161.60107 b11_ b_ 11 1 VESITARHGEV
234 572.29889 b11_ b_ 11 2 VESITARHGEV
235 1274.68513 b12_ b_ 12 1 VESITARHGEVL
236 628.84092 b12_ b_ 12 2 VESITARHGEVL
237 1402.74371 b13_ b_ 13 1 VESITARHGEVLQ
238 692.87021 b13_ b_ 13 2 VESITARHGEVLQ
239 1515.82777 b14_ b_ 14 1 VESITARHGEVLQL
240 749.41224 b14_ b_ 14 2 VESITARHGEVLQL
241 1671.92888 b15_ b_ 15 1 VESITARHGEVLQLR
242 827.46280 b15_ b_ 15 2 VESITARHGEVLQLR
243 1768.98164 b16_ b_ 16 1 VESITARHGEVLQLRP
244 875.98918 b16_ b_ 16 2 VESITARHGEVLQLRP
245 428.25035 c4_ c_ 4 1 VESI
246 205.62353 c4_ c_ 4 2 VESI
247 529.29803 c5_ c_ 5 1 VESIT
248 256.14737 c5_ c_ 5 2 VESIT
249 600.33514 c6_ c_ 6 1 VESITA
250 291.66593 c6_ c_ 6 2 VESITA
251 756.43625 c7_ c_ 7 1 VESITAR
252 369.71648 c7_ c_ 7 2 VESITAR
253 893.49516 c8_ c_ 8 1 VESITARH
254 438.24594 c8_ c_ 8 2 VESITARH
255 950.51662 c9_ c_ 9 1 VESITARHG
256 466.75667 c9_ c_ 9 2 VESITARHG
257 1079.55921 c10_ c_ 10 1 VESITARHGE
258 531.27796 c10_ c_ 10 2 VESITARHGE
259 1178.62762 c11_ c_ 11 1 VESITARHGEV
260 580.81217 c11_ c_ 11 2 VESITARHGEV
261 1291.71168 c12_ c_ 12 1 VESITARHGEVL
262 637.35420 c12_ c_ 12 2 VESITARHGEVL
263 1419.77026 c13_ c_ 13 1 VESITARHGEVLQ
264 701.38349 c13_ c_ 13 2 VESITARHGEVLQ
265 1532.85432 c14_ c_ 14 1 VESITARHGEVLQL
266 757.92552 c14_ c_ 14 2 VESITARHGEVLQL
267 1688.95543 c15_ c_ 15 1 VESITARHGEVLQLR
268 835.97607 c15_ c_ 15 2 VESITARHGEVLQLR
269 1786.00819 c16_ c_ 16 1 VESITARHGEVLQLRP
270 884.50245 c16_ c_ 16 2 VESITARHGEVLQLRP
271 990.57307 x8_ x_ 8 1 EVLQLRPK
272 486.78489 x8_ x_ 8 2 EVLQLRPK
273 1625.92340 x14_ x_ 14 1 ITARHGEVLQLRPK
274 804.46006 x14_ x_ 14 2 ITARHGEVLQLRPK
275 1712.95543 x15_ x_ 15 1 SITARHGEVLQLRPK
276 847.97607 x15_ x_ 15 2 SITARHGEVLQLRPK
277 1841.99802 x16_ x_ 16 1 ESITARHGEVLQLRPK
278 912.49737 x16_ x_ 16 2 ESITARHGEVLQLRPK
279 964.59381 y8_ y_ 8 1 EVLQLRPK
280 473.79526 y8_ y_ 8 2 EVLQLRPK
281 1599.94414 y14_ y_ 14 1 ITARHGEVLQLRPK
282 791.47042 y14_ y_ 14 2 ITARHGEVLQLRPK
283 1686.97617 y15_ y_ 15 1 SITARHGEVLQLRPK
284 834.98644 y15_ y_ 15 2 SITARHGEVLQLRPK
285 1816.01876 y16_ y_ 16 1 ESITARHGEVLQLRPK
286 899.50773 y16_ y_ 16 2 ESITARHGEVLQLRPK
287 947.56726 z8_ z_ 8 1 EVLQLRPK
288 465.28198 z8_ z_ 8 2 EVLQLRPK
289 1582.91759 z14_ z_ 14 1 ITARHGEVLQLRPK
290 782.95715 z14_ z_ 14 2 ITARHGEVLQLRPK
291 1669.94962 z15_ z_ 15 1 SITARHGEVLQLRPK
292 826.47316 z15_ z_ 15 2 SITARHGEVLQLRPK
293 1798.99221 z16_ z_ 16 1 ESITARHGEVLQLRPK
294 890.99446 z16_ z_ 16 2 ESITARHGEVLQLRPK
295 155.08150 x1_ x_ 1 1 K
296 69.03911 x1_ x_ 1 2 K
297 252.13426 x2_ x_ 2 1 PK
298 117.56549 x2_ x_ 2 2 PK
299 408.23537 x3_ x_ 3 1 RPK
300 195.61604 x3_ x_ 3 2 RPK
301 521.31943 x4_ x_ 4 1 LRPK
302 252.15807 x4_ x_ 4 2 LRPK
303 649.37801 x5_ x_ 5 1 QLRPK
304 316.18736 x5_ x_ 5 2 QLRPK
305 762.46207 x6_ x_ 6 1 LQLRPK
306 372.72939 x6_ x_ 6 2 LQLRPK
307 861.53048 x7_ x_ 7 1 VLQLRPK
308 422.26360 x7_ x_ 7 2 VLQLRPK
309 1047.59453 x9_ x_ 9 1 GEVLQLRPK
310 515.29562 x9_ x_ 9 2 GEVLQLRPK
311 1184.65344 x10_ x_ 10 1 HGEVLQLRPK
312 583.82508 x10_ x_ 10 2 HGEVLQLRPK
313 1340.75455 x11_ x_ 11 1 RHGEVLQLRPK
314 661.87563 x11_ x_ 11 2 RHGEVLQLRPK
315 1411.79166 x12_ x_ 12 1 ARHGEVLQLRPK
316 697.39419 x12_ x_ 12 2 ARHGEVLQLRPK
317 1512.83934 x13_ x_ 13 1 TARHGEVLQLRPK
318 747.91803 x13_ x_ 13 2 TARHGEVLQLRPK
319 129.10224 y1_ y_ 1 1 K
320 56.04947 y1_ y_ 1 2 K
321 226.15500 y2_ y_ 2 1 PK
322 104.57585 y2_ y_ 2 2 PK
323 382.25611 y3_ y_ 3 1 RPK
324 182.62641 y3_ y_ 3 2 RPK
325 495.34017 y4_ y_ 4 1 LRPK
326 239.16844 y4_ y_ 4 2 LRPK
327 623.39875 y5_ y_ 5 1 QLRPK
328 303.19773 y5_ y_ 5 2 QLRPK
329 736.48281 y6_ y_ 6 1 LQLRPK
330 359.73976 y6_ y_ 6 2 LQLRPK
331 835.55122 y7_ y_ 7 1 VLQLRPK
332 409.27396 y7_ y_ 7 2 VLQLRPK
333 1021.61527 y9_ y_ 9 1 GEVLQLRPK
334 502.30599 y9_ y_ 9 2 GEVLQLRPK
335 1158.67418 y10_ y_ 10 1 HGEVLQLRPK
336 570.83544 y10_ y_ 10 2 HGEVLQLRPK
337 1314.77529 y11_ y_ 11 1 RHGEVLQLRPK
338 648.88600 y11_ y_ 11 2 RHGEVLQLRPK
339 1385.81240 y12_ y_ 12 1 ARHGEVLQLRPK
340 684.40455 y12_ y_ 12 2 ARHGEVLQLRPK
341 1486.86008 y13_ y_ 13 1 TARHGEVLQLRPK
342 734.92839 y13_ y_ 13 2 TARHGEVLQLRPK
343 112.07569 z1_ z_ 1 1 K
344 47.53620 z1_ z_ 1 2 K
345 209.12845 z2_ z_ 2 1 PK
346 96.06258 z2_ z_ 2 2 PK
347 365.22956 z3_ z_ 3 1 RPK
348 174.11313 z3_ z_ 3 2 RPK
349 478.31362 z4_ z_ 4 1 LRPK
350 230.65516 z4_ z_ 4 2 LRPK
351 606.37220 z5_ z_ 5 1 QLRPK
352 294.68445 z5_ z_ 5 2 QLRPK
353 719.45626 z6_ z_ 6 1 LQLRPK
354 351.22648 z6_ z_ 6 2 LQLRPK
355 818.52467 z7_ z_ 7 1 VLQLRPK
356 400.76069 z7_ z_ 7 2 VLQLRPK
357 1004.58872 z9_ z_ 9 1 GEVLQLRPK
358 493.79271 z9_ z_ 9 2 GEVLQLRPK
359 1141.64763 z10_ z_ 10 1 HGEVLQLRPK
360 562.32217 z10_ z_ 10 2 HGEVLQLRPK
361 1297.74874 z11_ z_ 11 1 RHGEVLQLRPK
362 640.37272 z11_ z_ 11 2 RHGEVLQLRPK
363 1368.78585 z12_ z_ 12 1 ARHGEVLQLRPK
364 675.89128 z12_ z_ 12 2 ARHGEVLQLRPK
365 1469.83353 z13_ z_ 13 1 TARHGEVLQLRPK
366 726.41512 z13_ z_ 13 2 TARHGEVLQLRPK
367 849.45771 a8* a* 8 1 VESITARH
368 416.71922 a8* a* 8 2 VESITARH
369 906.47917 a9* a* 9 1 VESITARHG
370 445.22995 a9* a* 9 2 VESITARHG
371 1035.52176 a10* a* 10 1 VESITARHGE
372 509.75124 a10* a* 10 2 VESITARHGE
373 1134.59017 a11* a* 11 1 VESITARHGEV
374 559.28545 a11* a* 11 2 VESITARHGEV
375 1247.67423 a12* a* 12 1 VESITARHGEVL
376 615.82748 a12* a* 12 2 VESITARHGEVL
377 1375.73281 a13* a* 13 1 VESITARHGEVLQ
378 679.85677 a13* a* 13 2 VESITARHGEVLQ
379 1488.81687 a14* a* 14 1 VESITARHGEVLQL
380 736.39880 a14* a* 14 2 VESITARHGEVLQL
381 1644.91798 a15* a* 15 1 VESITARHGEVLQLR
382 814.44935 a15* a* 15 2 VESITARHGEVLQLR
383 1741.97074 a16* a* 16 1 VESITARHGEVLQLRP
384 862.97573 a16* a* 16 2 VESITARHGEVLQLRP
385 877.45263 b8* b* 8 1 VESITARH
386 430.71668 b8* b* 8 2 VESITARH
387 934.47409 b9* b* 9 1 VESITARHG
388 459.22741 b9* b* 9 2 VESITARHG
389 1063.51668 b10* b* 10 1 VESITARHGE
390 523.74870 b10* b* 10 2 VESITARHGE
391 1162.58509 b11* b* 11 1 VESITARHGEV
392 573.28291 b11* b* 11 2 VESITARHGEV
393 1275.66915 b12* b* 12 1 VESITARHGEVL
394 629.82494 b12* b* 12 2 VESITARHGEVL
395 1403.72773 b13* b* 13 1 VESITARHGEVLQ
396 693.85423 b13* b* 13 2 VESITARHGEVLQ
397 1516.81179 b14* b* 14 1 VESITARHGEVLQL
398 750.39626 b14* b* 14 2 VESITARHGEVLQL
399 1672.91290 b15* b* 15 1 VESITARHGEVLQLR
400 828.44681 b15* b* 15 2 VESITARHGEVLQLR
401 1769.96566 b16* b* 16 1 VESITARHGEVLQLRP
402 876.97319 b16* b* 16 2 VESITARHGEVLQLRP
403 894.47918 c8* c* 8 1 VESITARH
404 439.22995 c8* c* 8 2 VESITARH
405 951.50064 c9* c* 9 1 VESITARHG
406 467.74068 c9* c* 9 2 VESITARHG
407 1080.54323 c10* c* 10 1 VESITARHGE
408 532.26198 c10* c* 10 2 VESITARHGE
409 1179.61164 c11* c* 11 1 VESITARHGEV
410 581.79618 c11* c* 11 2 VESITARHGEV
411 1292.69570 c12* c* 12 1 VESITARHGEVL
412 638.33821 c12* c* 12 2 VESITARHGEVL
413 1420.75428 c13* c* 13 1 VESITARHGEVLQ
414 702.36750 c13* c* 13 2 VESITARHGEVLQ
415 1533.83834 c14* c* 14 1 VESITARHGEVLQL
416 758.90953 c14* c* 14 2 VESITARHGEVLQL
417 1689.93945 c15* c* 15 1 VESITARHGEVLQLR
418 836.96009 c15* c* 15 2 VESITARHGEVLQLR
419 1786.99221 c16* c* 16 1 VESITARHGEVLQLRP
420 885.48647 c16* c* 16 2 VESITARHGEVLQLRP
421 522.30345 x4* x* 4 1 LRPK
422 253.14209 x4* x* 4 2 LRPK
423 650.36203 x5* x* 5 1 QLRPK
424 317.17138 x5* x* 5 2 QLRPK
425 763.44609 x6* x* 6 1 LQLRPK
426 373.71341 x6* x* 6 2 LQLRPK
427 862.51450 x7* x* 7 1 VLQLRPK
428 423.24761 x7* x* 7 2 VLQLRPK
429 991.55709 x8* x* 8 1 EVLQLRPK
430 487.76891 x8* x* 8 2 EVLQLRPK
431 1048.57855 x9* x* 9 1 GEVLQLRPK
432 516.27964 x9* x* 9 2 GEVLQLRPK
433 1185.63746 x10* x* 10 1 HGEVLQLRPK
434 584.80909 x10* x* 10 2 HGEVLQLRPK
435 1341.73857 x11* x* 11 1 RHGEVLQLRPK
436 662.85965 x11* x* 11 2 RHGEVLQLRPK
437 1412.77568 x12* x* 12 1 ARHGEVLQLRPK
438 698.37820 x12* x* 12 2 ARHGEVLQLRPK
439 1513.82336 x13* x* 13 1 TARHGEVLQLRPK
440 748.90204 x13* x* 13 2 TARHGEVLQLRPK
441 1626.90742 x14* x* 14 1 ITARHGEVLQLRPK
442 805.44407 x14* x* 14 2 ITARHGEVLQLRPK
443 1713.93945 x15* x* 15 1 SITARHGEVLQLRPK
444 848.96009 x15* x* 15 2 SITARHGEVLQLRPK
445 1842.98204 x16* x* 16 1 ESITARHGEVLQLRPK
446 913.48138 x16* x* 16 2 ESITARHGEVLQLRPK
447 496.32418 y4* y* 4 1 LRPK
448 240.15245 y4* y* 4 2 LRPK
449 624.38276 y5* y* 5 1 QLRPK
450 304.18174 y5* y* 5 2 QLRPK
451 737.46682 y6* y* 6 1 LQLRPK
452 360.72377 y6* y* 6 2 LQLRPK
453 836.53523 y7* y* 7 1 VLQLRPK
454 410.25798 y7* y* 7 2 VLQLRPK
455 965.57782 y8* y* 8 1 EVLQLRPK
456 474.77927 y8* y* 8 2 EVLQLRPK
457 1022.59928 y9* y* 9 1 GEVLQLRPK
458 503.29000 y9* y* 9 2 GEVLQLRPK
459 1159.65819 y10* y* 10 1 HGEVLQLRPK
460 571.81946 y10* y* 10 2 HGEVLQLRPK
461 1315.75930 y11* y* 11 1 RHGEVLQLRPK
462 649.87001 y11* y* 11 2 RHGEVLQLRPK
463 1386.79641 y12* y* 12 1 ARHGEVLQLRPK
464 685.38857 y12* y* 12 2 ARHGEVLQLRPK
465 1487.84409 y13* y* 13 1 TARHGEVLQLRPK
466 735.91241 y13* y* 13 2 TARHGEVLQLRPK
467 1600.92815 y14* y* 14 1 ITARHGEVLQLRPK
468 792.45444 y14* y* 14 2 ITARHGEVLQLRPK
469 1687.96018 y15* y* 15 1 SITARHGEVLQLRPK
470 835.97045 y15* y* 15 2 SITARHGEVLQLRPK
471 1817.00277 y16* y* 16 1 ESITARHGEVLQLRPK
472 900.49175 y16* y* 16 2 ESITARHGEVLQLRPK
473 479.29763 z4* z* 4 1 LRPK
474 231.63918 z4* z* 4 2 LRPK
475 607.35621 z5* z* 5 1 QLRPK
476 295.66847 z5* z* 5 2 QLRPK
477 720.44027 z6* z* 6 1 LQLRPK
478 352.21050 z6* z* 6 2 LQLRPK
479 819.50868 z7* z* 7 1 VLQLRPK
480 401.74471 z7* z* 7 2 VLQLRPK
481 948.55127 z8* z* 8 1 EVLQLRPK
482 466.26600 z8* z* 8 2 EVLQLRPK
483 1005.57273 z9* z* 9 1 GEVLQLRPK
484 494.77673 z9* z* 9 2 GEVLQLRPK
485 1142.63164 z10* z* 10 1 HGEVLQLRPK
486 563.30619 z10* z* 10 2 HGEVLQLRPK
487 1298.73275 z11* z* 11 1 RHGEVLQLRPK
488 641.35674 z11* z* 11 2 RHGEVLQLRPK
489 1369.76986 z12* z* 12 1 ARHGEVLQLRPK
490 676.87530 z12* z* 12 2 ARHGEVLQLRPK
491 1470.81754 z13* z* 13 1 TARHGEVLQLRPK
492 727.39914 z13* z* 13 2 TARHGEVLQLRPK
493 1583.90160 z14* z* 14 1 ITARHGEVLQLRPK
494 783.94117 z14* z* 14 2 ITARHGEVLQLRPK
495 1670.93363 z15* z* 15 1 SITARHGEVLQLRPK
496 827.45718 z15* z* 15 2 SITARHGEVLQLRPK
497 1799.97622 z16* z* 16 1 ESITARHGEVLQLRPK
498 891.97848 z16* z* 16 2 ESITARHGEVLQLRPK
mz intensity ion type pos z seq error
1 429.2563 1972344.0 b4 b 4 1 VESI -0.02189010
2 512.3044 684918.0 b5_ b_ 5 1 VESIT -0.03290132
3 513.3047 2574137.0 y4 y 4 1 LRPK 0.04598246
4 583.3300 1440833.8 b6_ b_ 6 1 VESITA -0.02142609
5 754.4504 537234.8 y6 y 6 1 LQLRPK 0.04293155
6 982.5354 500159.1 y8 y 8 1 EVLQLRPK 0.06897061
7 1080.5867 209363.7 b10 b 10 1 VESITARHGE -0.04344392
8 1688.0375 136748.8 y15* y* 15 1 SITARHGEVLQLRPK -0.07729359
$water
[1] "Cterm" "D" "E" "S" "T"
$ammonia
[1] "K" "N" "Q" "R"
$water
[1] "D" "E" "S" "T"
$ammonia
[1] "K" "N" "Q" "R"
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 157.10839 y1_ y_ 1 1 R
6 285.16697 y2_ y_ 2 1 QR
7 286.15098 y2* y* 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 286.15098 y2* y* 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
5 157.10839 y1_ y_ 1 1 R
6 285.16697 y2_ y_ 2 1 QR
mz ion type pos z seq
1 98.06004 b1 b 1 1 P
2 226.11862 b2 b 2 1 PQ
3 175.11895 y1 y 1 1 R
4 303.17753 y2 y 2 1 QR
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