mzml 0.1.0

Sign up to get free protection for your applications and to get access to all the features.
Files changed (16) hide show
  1. data/.document +5 -0
  2. data/.gitignore +22 -0
  3. data/.yardoc +0 -0
  4. data/LICENSE +20 -0
  5. data/README.rdoc +20 -0
  6. data/Rakefile +44 -0
  7. data/VERSION +1 -0
  8. data/lib/mzml.rb +228 -0
  9. data/mzml.gemspec +62 -0
  10. data/spec/mzml_spec.rb +60 -0
  11. data/spec/small.compressed.mzML +11416 -0
  12. data/spec/small.mgf +350 -0
  13. data/spec/small.mzML +11405 -0
  14. data/spec/spec.opts +1 -0
  15. data/spec/spec_helper.rb +27 -0
  16. metadata +90 -0
data/spec/small.mgf ADDED
@@ -0,0 +1,350 @@
1
+ BEGIN IONS
2
+ TITLE=controllerType=0 controllerNumber=1 scan=506
3
+ RTINSECONDS=433.55
4
+ PEPMASS=526.92999999999995
5
+ 154.0848541 4.620977402
6
+ 159.0332031 2.963994026
7
+ 167.0523376 22.21366882
8
+ 175.1923218 15.01741695
9
+ 177.0898132 27.383461
10
+ 187.1202393 3.972598314
11
+ 187.9937134 2.731646776
12
+ 195.235733 4.626487732
13
+ 197.1491547 2.882266045
14
+ 200.2642059 3.123988867
15
+ 204.2588348 10.98441887
16
+ 205.0518188 4.383720875
17
+ 208.2340851 2.461233854
18
+ 209.3147583 3.220626831
19
+ 211.097702 2.028456211
20
+ 211.8148651 7.808494568
21
+ 213.3709106 38.44651794
22
+ 215.1225891 18.45497704
23
+ 216.1784058 8.151720047
24
+ 217.1372528 3.107314348
25
+ 221.193573 1.817033648
26
+ 223.9697571 7.610180855
27
+ 226.4116516 16.77148438
28
+ 227.2020874 5.699748993
29
+ 229.1970215 10.99547386
30
+ 233.8542786 12.85408974
31
+ 234.899231 7.308621883
32
+ 236.2557526 4.118522644
33
+ 239.3803711 15.23073101
34
+ 240.201004 9.481160164
35
+ 243.2442017 6.080067635
36
+ 243.9874573 23.50136375
37
+ 246.2108765 10.27341843
38
+ 252.2108917 2.896145582
39
+ 256.197876 2.679972649
40
+ 258.4428101 2.077144146
41
+ 260.2970581 9.479493141
42
+ 268.5001831 14.21127701
43
+ 270.3726196 9.878219604
44
+ 271.2219238 1.817989826
45
+ 272.3344116 40.63381577
46
+ 276.3830872 4.342268944
47
+ 277.1733398 2.031834364
48
+ 278.1911011 12.46398735
49
+ 280.2576294 3.972968102
50
+ 286.0831909 18.5181427
51
+ 294.3025208 11.21606064
52
+ 294.9146118 5.816380501
53
+ 296.3157959 24.60990334
54
+ 297.1349792 3.541286945
55
+ 298.5231934 2.70346117
56
+ 302.4089355 12.54018402
57
+ 303.3421631 25.31132126
58
+ 304.0508423 31.21273613
59
+ 305.2399902 2.677177191
60
+ 306.8719482 11.8412466
61
+ 310.5722351 4.27298069
62
+ 311.6643677 15.4347496
63
+ 314.8414001 12.35943127
64
+ 316.039093 8.567457199
65
+ 319.2539673 6.635712624
66
+ 324.1724548 4.394401073
67
+ 325.1968384 3.011777878
68
+ 326.34198 7.67452383
69
+ 328.8571167 21.09229279
70
+ 330.4464722 20.04306984
71
+ 331.951355 20.15673256
72
+ 332.8485107 2.484570265
73
+ 334.1047974 12.16370678
74
+ 335.4632568 6.411299706
75
+ 336.3995972 3.271773815
76
+ 337.9016724 3.828201532
77
+ 338.9945068 25.32710457
78
+ 340.3058777 7.119501591
79
+ 341.5274353 12.94260025
80
+ 342.3139648 15.19609642
81
+ 344.067688 9.761552811
82
+ 344.6973267 9.919442177
83
+ 349.2275696 2.039819479
84
+ 352.4821472 11.72136879
85
+ 354.3103943 2.793982744
86
+ 355.225647 4.771024704
87
+ 357.7893372 13.11976051
88
+ 359.067749 8.988078117
89
+ 362.2900696 9.102488518
90
+ 363.3513489 12.15114689
91
+ 364.2817993 18.44768333
92
+ 365.2415466 6.554704189
93
+ 366.3366699 13.22858238
94
+ 368.9783936 12.74354458
95
+ 370.3515625 4.376207829
96
+ 371.5511475 10.52988052
97
+ 374.9447021 13.1226902
98
+ 375.6276245 48.40619278
99
+ 377.9983521 7.06720829
100
+ 380.1699219 10.95254326
101
+ 381.267395 44.86477661
102
+ 383.4507446 54.07662201
103
+ 387.3969727 12.31840897
104
+ 390.6990356 19.66204643
105
+ 392.1973877 9.49409008
106
+ 394.0943298 4.18301487
107
+ 396.4008789 9.195028305
108
+ 397.8750305 52.58184814
109
+ 399.2471619 16.77723312
110
+ 400.2449646 7.409497738
111
+ 401.4971924 7.162687302
112
+ 402.8813171 20.9437027
113
+ 404.3216248 16.99865341
114
+ 409.8708801 11.54340649
115
+ 411.3230591 39.77323532
116
+ 412.1089478 32.75867844
117
+ 413.2838135 6.930323601
118
+ 415.6138916 8.891205788
119
+ 416.2660217 10.80044937
120
+ 418.054718 32.23757172
121
+ 419.1313477 16.88991928
122
+ 420.3597107 11.97165871
123
+ 421.0064087 6.187562943
124
+ 424.3976135 18.58706284
125
+ 426.3652344 21.06595802
126
+ 427.2423401 22.75392342
127
+ 428.3721619 30.36712837
128
+ 429.2041931 10.65922642
129
+ 430.5715332 53.66287231
130
+ 432.2232971 8.191078186
131
+ 437.1767883 2.464192629
132
+ 438.3417969 5.222106934
133
+ 440.3172302 13.84007645
134
+ 441.2923279 22.19910431
135
+ 443.2463379 57.34437943
136
+ 444.3791504 37.88076782
137
+ 448.0483398 3.122665405
138
+ 450.0808411 58.50421906
139
+ 452.7354736 14.09244251
140
+ 454.6080017 11.47422218
141
+ 455.4935303 8.252150536
142
+ 457.4633789 2.297100306
143
+ 458.3561707 13.68834305
144
+ 460.5273743 21.77363205
145
+ 462.0322266 98.94754028
146
+ 463.2619019 31.16061974
147
+ 466.9674683 42.8738327
148
+ 467.9378357 67.55561066
149
+ 468.9729004 8.235882759
150
+ 469.9294434 14.02436161
151
+ 470.85672 6.74478817
152
+ 471.7039795 57.58734894
153
+ 472.6290283 12.5343895
154
+ 473.836792 121.624855
155
+ 474.7565308 17.84889221
156
+ 475.9031982 24.76814842
157
+ 477.3874512 116.7392807
158
+ 478.3998413 101.1186676
159
+ 479.7116089 4.831941605
160
+ 481.4950256 94.80971527
161
+ 482.7901001 64.04896545
162
+ 484.1479187 29.66415405
163
+ 485.5045776 76.11250305
164
+ 486.413208 6.898353577
165
+ 487.5628357 25.7104187
166
+ 489.2883606 76.88066864
167
+ 490.2787476 74.27827454
168
+ 491.0941162 10.0971384
169
+ 492.1936951 2.154204607
170
+ 493.0720825 113.623558
171
+ 494.2037048 292.1082153
172
+ 494.969696 44.89974594
173
+ 496.1041565 16.76378441
174
+ 497.2303467 106.2595444
175
+ 498.2158203 11.17865467
176
+ 499.1690979 59.80173492
177
+ 499.8452148 56.02567291
178
+ 500.7756348 83.85418701
179
+ 502.9867859 44.11391449
180
+ 504.4223633 208.9513397
181
+ 505.2304688 132.5691376
182
+ 506.0088806 16.34560013
183
+ 506.7294922 28.69570732
184
+ 508.1303406 142.2686462
185
+ 509.4472046 244.9395752
186
+ 510.5057373 163.7600861
187
+ 511.4675598 42.06850052
188
+ 512.6817627 113.3486633
189
+ 514.0456543 468.1816711
190
+ 514.9979858 129.4063416
191
+ 515.6287842 14.52245235
192
+ 517.0688477 847.7388916
193
+ 518.2719116 406.3014221
194
+ 519.656311 96.3104248
195
+ 520.3829346 161.0101013
196
+ 521.6488037 3.111003876
197
+ 524.2198486 7.759272575
198
+ 526.4000244 6.483816147
199
+ 537.4239502 6.671422005
200
+ 543.4316406 26.45872116
201
+ 547.2032471 10.99075508
202
+ 553.4818115 7.880543232
203
+ 555.8835449 24.16985703
204
+ 557.4403076 39.87444305
205
+ 558.7340088 28.56881523
206
+ 559.5637207 8.150587082
207
+ 561.3710327 19.70463371
208
+ 564.5389404 8.716329575
209
+ 568.3554688 18.99302483
210
+ 569.1405029 19.91106224
211
+ 572.9697876 14.576931
212
+ 574.086792 13.75700665
213
+ 575.4638062 10.06285572
214
+ 578.7321777 29.87008858
215
+ 579.9002686 12.78577518
216
+ 581.5871582 31.88658524
217
+ 584.2651367 2.252062798
218
+ 586.1160889 1.602548242
219
+ 587.3306885 3.794899702
220
+ 588.4334717 20.34077835
221
+ 589.3477783 107.6579056
222
+ 590.5095215 20.41259384
223
+ 591.246521 4.609886169
224
+ 595.0021973 16.16700745
225
+ 596.710083 67.28891754
226
+ 597.6602783 20.30756187
227
+ 598.5256348 24.15242004
228
+ 600.5976562 32.29061508
229
+ 604.3324585 16.52262306
230
+ 606.3737183 2.07625699
231
+ 607.4121094 4.960515976
232
+ 608.0203857 17.41798973
233
+ 609.0426025 18.72656631
234
+ 610.2026367 2.46480751
235
+ 613.3624268 5.58430624
236
+ 614.0723877 12.65702534
237
+ 616.5001221 14.84870243
238
+ 620.2202759 77.89962769
239
+ 621.0235596 36.83601379
240
+ 622.5509644 3.422341108
241
+ 628.583374 43.94007111
242
+ 629.3666992 7.794168949
243
+ 631.0849609 15.95151711
244
+ 631.8521729 14.00317955
245
+ 634.3499756 8.20274353
246
+ 636.3338623 17.44428062
247
+ 637.0148926 20.6126976
248
+ 640.4779053 7.188920498
249
+ 645.2022705 9.150762558
250
+ 647.2398682 24.1247673
251
+ 647.9431152 12.77986908
252
+ 649.2155762 5.379639149
253
+ 650.6109619 47.25892639
254
+ 651.4934082 38.48551178
255
+ 652.6136475 39.55678558
256
+ 655.9527588 10.55907154
257
+ 657.7301025 80.18505859
258
+ 658.75354 165.5567322
259
+ 659.463623 4.839987278
260
+ 662.6678467 30.5018692
261
+ 665.159668 12.1013279
262
+ 666.5450439 38.81446457
263
+ 667.2855225 4.054086208
264
+ 669.25 19.7080574
265
+ 670.6000977 29.6653347
266
+ 671.4923096 9.361816406
267
+ 673.8293457 46.62446976
268
+ 675.7432861 33.67683029
269
+ 677.630249 27.30450439
270
+ 678.6165771 38.42290878
271
+ 679.447876 108.0254059
272
+ 680.1098633 11.65014935
273
+ 681.1617432 32.98546219
274
+ 684.0163574 29.11414719
275
+ 684.8171387 16.10041428
276
+ 685.8323975 35.79473877
277
+ 687.3062744 4.551697731
278
+ 688.8491211 21.76359177
279
+ 696.4279785 14.32756901
280
+ 701.3983154 35.46398163
281
+ 702.3709717 27.97185326
282
+ 703.4403076 10.456954
283
+ 706.3371582 10.13259315
284
+ 707.6223145 8.15490818
285
+ 709.4720459 2.487567663
286
+ 711.6507568 21.01153946
287
+ 712.8718262 29.03138351
288
+ 713.6820068 6.787490845
289
+ 714.9700928 24.3114109
290
+ 716.3187256 18.30188942
291
+ 720.0092773 41.66532516
292
+ 721.8135986 40.50637436
293
+ 722.7974854 31.38230515
294
+ 724.6523438 61.21236038
295
+ 725.605957 18.89818764
296
+ 729.3924561 16.64898109
297
+ 732.3284912 7.299948692
298
+ 734.6342773 8.608263016
299
+ 739.4036865 4.648398399
300
+ 744.0611572 29.68449211
301
+ 744.8935547 8.854649544
302
+ 746.0192871 15.62289429
303
+ 748.1934814 25.75984192
304
+ 749.1517334 20.60834503
305
+ 751.335083 10.14368057
306
+ 752.9267578 30.41381073
307
+ 757.4499512 33.58243561
308
+ 760.3309326 15.74069977
309
+ 761.7230225 20.53734207
310
+ 762.5987549 10.46980667
311
+ 768.295166 27.53384399
312
+ 769.49646 11.59846306
313
+ 780.3179932 21.59971237
314
+ 790.2199707 15.34187508
315
+ 793.395874 3.325448275
316
+ 794.2442627 14.82328129
317
+ 805.1474609 14.4782629
318
+ 807.3415527 15.58446598
319
+ 808.4346924 8.164871216
320
+ 809.5389404 13.54419041
321
+ 817.5761719 7.521609306
322
+ 818.6104736 2.886264324
323
+ 824.3389893 18.76046562
324
+ 841.3198242 10.47744465
325
+ 844.4017334 13.15009689
326
+ 852.0938721 16.16394424
327
+ 860.2382812 12.9540596
328
+ 877.401001 14.64906597
329
+ 880.4069824 8.993471146
330
+ 887.0604248 5.987819195
331
+ 888.2298584 1.821917892
332
+ 889.2633057 34.06375885
333
+ 904.2473145 9.36729908
334
+ 909.2561035 2.277253151
335
+ 923.5045166 14.4525156
336
+ 924.4674072 5.361800194
337
+ 933.2736816 3.347322226
338
+ 936.2073975 10.82766247
339
+ 938.4321289 7.182198524
340
+ 940.4555664 6.567475796
341
+ 944.6672363 7.313064575
342
+ 972.229126 10.15910816
343
+ 991.3494873 9.578975677
344
+ 1004.421753 6.682720184
345
+ 1006.306885 6.77416563
346
+ 1009.466309 9.220319748
347
+ 1034.686768 4.997045517
348
+ 1101.439453 21.37911606
349
+ 1199.636475 11.70802402
350
+ END IONS