msf 0.1.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (80) hide show
  1. data/.document +5 -0
  2. data/.rspec +1 -0
  3. data/Gemfile +24 -0
  4. data/Gemfile.lock +67 -0
  5. data/LICENSE.txt +20 -0
  6. data/README.md +45 -0
  7. data/Rakefile +43 -0
  8. data/VERSION +1 -0
  9. data/bin/ibspectra +43 -0
  10. data/erd/config.png +0 -0
  11. data/erd/empty.png +0 -0
  12. data/erd/erd.png +0 -0
  13. data/erd/msf.xcdatamodeld/.xccurrentversion +8 -0
  14. data/erd/msf.xcdatamodeld/msf.xcdatamodel/contents +330 -0
  15. data/erd/schema.txt +666 -0
  16. data/lib/msf.rb +2 -0
  17. data/lib/msf/models.rb +4 -0
  18. data/lib/msf/models/amino_acid.rb +50 -0
  19. data/lib/msf/models/amino_acid_modification.rb +55 -0
  20. data/lib/msf/models/amino_acid_modification_neutral_loss.rb +31 -0
  21. data/lib/msf/models/amino_acid_modifications_amino_acid_nls.rb +23 -0
  22. data/lib/msf/models/amino_acid_modifications_amino_acids.rb +27 -0
  23. data/lib/msf/models/annotation_data_version.rb +20 -0
  24. data/lib/msf/models/annotation_dataset.rb +29 -0
  25. data/lib/msf/models/annotation_group.rb +38 -0
  26. data/lib/msf/models/annotation_type.rb +23 -0
  27. data/lib/msf/models/chromatogram.rb +26 -0
  28. data/lib/msf/models/custom_data_field.rb +56 -0
  29. data/lib/msf/models/custom_data_peptide.rb +25 -0
  30. data/lib/msf/models/custom_data_processing_node.rb +25 -0
  31. data/lib/msf/models/custom_data_protein.rb +25 -0
  32. data/lib/msf/models/custom_data_spectrum.rb +25 -0
  33. data/lib/msf/models/enzyme.rb +32 -0
  34. data/lib/msf/models/fasta_file.rb +50 -0
  35. data/lib/msf/models/file_info.rb +41 -0
  36. data/lib/msf/models/mass_peak.rb +36 -0
  37. data/lib/msf/models/peptide.rb +118 -0
  38. data/lib/msf/models/peptide_score.rb +34 -0
  39. data/lib/msf/models/peptide_score_decoy.rb +34 -0
  40. data/lib/msf/models/peptide_terminal_modification.rb +29 -0
  41. data/lib/msf/models/peptides_amino_acid_modifications.rb +32 -0
  42. data/lib/msf/models/peptides_proteins.rb +27 -0
  43. data/lib/msf/models/processing_node.rb +65 -0
  44. data/lib/msf/models/processing_node_score.rb +45 -0
  45. data/lib/msf/models/protein.rb +38 -0
  46. data/lib/msf/models/protein_annotation.rb +35 -0
  47. data/lib/msf/models/protein_identification_group.rb +19 -0
  48. data/lib/msf/models/protein_score.rb +34 -0
  49. data/lib/msf/models/reporter_ion_quan_result.rb +31 -0
  50. data/lib/msf/models/reporter_ion_quan_result_search_spectrum.rb +29 -0
  51. data/lib/msf/models/scan_event.rb +37 -0
  52. data/lib/msf/models/schema_info.rb +29 -0
  53. data/lib/msf/models/spectrum.rb +34 -0
  54. data/lib/msf/models/spectrum_header.rb +63 -0
  55. data/lib/msf/models/spectrum_score.rb +24 -0
  56. data/lib/msf/models/taxonomy_name.rb +26 -0
  57. data/lib/msf/models/workflow_info.rb +46 -0
  58. data/lib/msf/models/workflow_message.rb +31 -0
  59. data/lib/msf/msf.rb +32 -0
  60. data/lib/msf/sql/enzyme_cleavage_specificity.rb +16 -0
  61. data/lib/msf/sql/false_discovery_rate.rb +24 -0
  62. data/lib/msf/sql/fasta_file_protein_annotation.rb +17 -0
  63. data/lib/msf/sql/mass_peak_relation.rb +17 -0
  64. data/lib/msf/sql/peptide_amino_acid_modification_decoy.rb +23 -0
  65. data/lib/msf/sql/peptide_decoy.rb +32 -0
  66. data/lib/msf/sql/peptide_terminal_modification_decoy.rb +20 -0
  67. data/lib/msf/sql/precursor_ion_quan_result.rb +29 -0
  68. data/lib/msf/sql/precursor_ion_quan_result_event_spectrum.rb +17 -0
  69. data/lib/msf/sql/precursor_ion_quan_result_search_spectrum.rb +20 -0
  70. data/lib/msf/sql/processing_node_filter_parameter.rb +29 -0
  71. data/lib/msf/sql/processing_node_interface.rb +19 -0
  72. data/lib/msf/sql/processing_node_parameter.rb +46 -0
  73. data/lib/msf/sql/processing_node_spectrum.rb +16 -0
  74. data/lib/msf/sql/quan_result.rb +40 -0
  75. data/lib/msf/sql/result_filter_set.rb +12 -0
  76. data/lib/msf/sql/taxonomy_node.rb +26 -0
  77. data/msf.gemspec +143 -0
  78. data/spec/msf_spec.rb +7 -0
  79. data/spec/spec_helper.rb +14 -0
  80. metadata +275 -0
@@ -0,0 +1,666 @@
1
+ CREATE TABLE [AminoAcidModifications] (
2
+ [AminoAcidModificationID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
3
+ [ModificationName] [varchar] (250) COLLATE NOCASE NOT NULL ,
4
+ [DeltaMass] [double] NULL ,
5
+ [Substitution] [varchar] (50) COLLATE NOCASE NULL ,
6
+ [LeavingGroup] [varchar] (50) COLLATE NOCASE NULL ,
7
+ [Abbreviation] [varchar] (50) COLLATE NOCASE NOT NULL ,
8
+ [PositionType] [int] NOT NULL ,
9
+ [IsActive] [bit] NULL ,
10
+ [DeltaAverageMass] [double] NULL,
11
+ [UnimodAccession] [long] NULL,
12
+ [IsSubstitution] [bool] DEFAULT 0 NOT NULL,
13
+ UNIQUE (
14
+ [ModificationName],
15
+ [PositionType]
16
+ ),
17
+ UNIQUE (
18
+ [Abbreviation],
19
+ [PositionType]
20
+ )
21
+ );
22
+ CREATE TABLE [AminoAcidModificationsAminoAcids] (
23
+ [AminoAcidModificationID] [int] NOT NULL ,
24
+ [AminoAcidID] [int] NOT NULL ,
25
+ [Classification][int] NOT NULL,
26
+ PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID] )
27
+ );
28
+ CREATE TABLE [AminoAcidModificationsAminoAcidsNL] (
29
+ [AminoAcidModificationID] [int] NOT NULL ,
30
+ [AminoAcidID] [int] NOT NULL ,
31
+ [NeutralLossID] [int] NOT NULL ,
32
+ PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID], [NeutralLossID] )
33
+ );
34
+ CREATE TABLE [AminoAcidModificationsNeutralLosses](
35
+ [NeutralLossID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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+ [Name] [varchar] (50) COLLATE NOCASE NOT NULL ,
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+ [MonoisotopicMass] [double] NOT NULL ,
38
+ [AverageMass] [double] NOT NULL
39
+ );
40
+ CREATE TABLE [AminoAcids] (
41
+ [AminoAcidID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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+ [AminoAcidName] [varchar] (50) COLLATE NOCASE NOT NULL ,
43
+ [OneLetterCode] [char] (1) NULL ,
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+ [ThreeLetterCode] [char] (3) COLLATE NOCASE UNIQUE NULL ,
45
+ [MonoisotopicMass] [double] NOT NULL ,
46
+ [AverageMass] [double] NOT NULL ,
47
+ [SumFormula] [varchar] (50) COLLATE NOCASE NULL
48
+ );
49
+ CREATE TABLE AnnotationDataVersion(
50
+ [PcDataVersion] INTEGER PRIMARY KEY NOT NULL,
51
+ [PcDataRelease] [bigint] NOT NULL
52
+ );
53
+ CREATE TABLE AnnotationDataset(
54
+ [DatasetId] INTEGER PRIMARY KEY NOT NULL ,
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+ [Name] [varchar] (50) COLLATE NOCASE NOT NULL ,
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+ [DisplayName] [varchar] (30) COLLATE NOCASE NOT NULL ,
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+ [Guid] [varchar] (50) COLLATE NOCASE NOT NULL,
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+ [Description] [text]
59
+ );
60
+ CREATE TABLE AnnotationGroups(
61
+ [AnnotationGroupId] [int] NOT NULL,
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+ [Description] [text],
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+ [DatasetId] [int] NOT NULL,
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+ [Position][int] NOT NULL,
65
+ [ColorR][int] NOT NULL,
66
+ [ColorG][int] NOT NULL,
67
+ [ColorB][int] NOT NULL,
68
+ [GroupDefinition][Blob],
69
+ PRIMARY KEY (
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+ [AnnotationGroupId],
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+ [DatasetId]
72
+ )
73
+ );
74
+ CREATE TABLE AnnotationTypes(
75
+ [AnnotationTypeId] INTEGER PRIMARY KEY NOT NULL ,
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+ [Name] [varchar] (30) COLLATE NOCASE NOT NULL ,
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+ [Description] [text]
78
+ );
79
+ CREATE TABLE Annotations(
80
+ [AnnotationId] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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+ [Accession] [varchar] (30) COLLATE NOCASE NOT NULL ,
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+ [Description] [text],
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+ [type] [int]
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+ );
85
+ CREATE TABLE AnnotationsAnnotationGroups(
86
+ [AnnotationId] [int] NOT NULL,
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+ [AnnotationGroupId] [int] NOT NULL,
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+ PRIMARY KEY (
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+ [AnnotationId],
90
+ [AnnotationGroupId]
91
+ )
92
+ );
93
+ CREATE TABLE AnnotationsProtein(
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+ [proteinID] [int] NOT NULL ,
95
+ [AnnotationId] [int] NOT NULL,
96
+ [Evidence] [int],
97
+ [PositionBegin][int],
98
+ [PositionEnd][int],
99
+ [ProteinAccession] [varchar] (30) COLLATE NOCASE NOT NULL,
100
+ PRIMARY KEY (
101
+ [proteinID],
102
+ [AnnotationId],
103
+ [Evidence],
104
+ [PositionBegin],
105
+ [ProteinAccession]
106
+ )
107
+ );
108
+ CREATE TABLE Chromatograms (
109
+ [FileID] [int] NOT NULL,
110
+ [TraceType] [int] NOT NULL,
111
+ [Chromatogram] [binary] NOT NULL,
112
+ PRIMARY KEY (
113
+ [FileID],
114
+ [TraceType]
115
+ )
116
+ );
117
+ CREATE TABLE CustomDataFields (
118
+ [FieldID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
119
+ [Guid] [varchar] (50) COLLATE NOCASE NOT NULL,
120
+ [DisplayName][varchar](50) COLLATE NOCASE NOT NULL,
121
+ [SourceNodeNumber] [int] NOT NULL,
122
+ [TargetNodeNumber] [int] NOT NULL,
123
+ [DataType][int] NOT NULL,
124
+ [DataTarget][int] NOT NULL,
125
+ [Version][double] NOT NULL,
126
+ [AccessMode][int] DEFAULT 0,
127
+ [Visibility][int] DEFAULT 0,
128
+ [GroupVisibility][int] DEFAULT 0,
129
+ [Format][varchar](20),
130
+ [PlotType][int] NOT NULL,
131
+ [DataPurpose][varchar](250)
132
+ );
133
+ CREATE TABLE CustomDataPeptides (
134
+ [FieldID] [int] NOT NULL,
135
+ [PeptideID] [int] NOT NULL,
136
+ [FieldValue] [variant],
137
+ PRIMARY KEY (
138
+ [FieldID],
139
+ [PeptideID]
140
+ )
141
+ );
142
+ CREATE TABLE CustomDataPeptides_decoy (
143
+ [FieldID] [int] NOT NULL,
144
+ [PeptideID] [int] NOT NULL,
145
+ [FieldValue] [variant],
146
+ PRIMARY KEY (
147
+ [FieldID],
148
+ [PeptideID]
149
+ )
150
+ );
151
+ CREATE TABLE CustomDataProcessingNodes (
152
+ [FieldID] [int] NOT NULL,
153
+ [ProcessingNodeNumber] [int] NOT NULL,
154
+ [FieldValue] [variant],
155
+ PRIMARY KEY (
156
+ [FieldID],
157
+ [ProcessingNodeNumber]
158
+ )
159
+ );
160
+ CREATE TABLE CustomDataProteins (
161
+ [FieldID] [int] NOT NULL,
162
+ [ProteinID] [int] NOT NULL,
163
+ [FieldValue] [variant],
164
+ PRIMARY KEY (
165
+ [FieldID],
166
+ [ProteinID]
167
+ )
168
+ );
169
+ CREATE TABLE CustomDataProteins_decoy (
170
+ [FieldID] [int] NOT NULL,
171
+ [ProteinID] [int] NOT NULL,
172
+ [FieldValue] [variant],
173
+ PRIMARY KEY (
174
+ [FieldID],
175
+ [ProteinID]
176
+ )
177
+ );
178
+ CREATE TABLE CustomDataSpectra (
179
+ [FieldID] [int] NOT NULL,
180
+ [SpectrumID] [int] NOT NULL,
181
+ [FieldValue] [variant],
182
+ PRIMARY KEY (
183
+ [FieldID],
184
+ [SpectrumID]
185
+ )
186
+ );
187
+ CREATE TABLE [Enzymes] (
188
+ [EnzymeID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
189
+ [Name] [varchar] (25) UNIQUE COLLATE NOCASE NOT NULL ,
190
+ [Abbreviation] [varchar] (5) COLLATE NOCASE NOT NULL ,
191
+ [Seperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
192
+ [NonSeperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
193
+ [Offset] [int] NOT NULL
194
+ );
195
+ CREATE TABLE [EnzymesCleavageSpecificities] (
196
+ [EnzymeID] [int] NOT NULL ,
197
+ [Specificity] [int] NOT NULL ,
198
+ PRIMARY KEY (EnzymeID, Specificity)
199
+ );
200
+ CREATE TABLE [EventAnnotations] (
201
+ [EventID] INTEGER PRIMARY KEY NOT NULL,
202
+ [Charge] [smallint] NOT NULL,
203
+ [IsotopePatternID] [int] NOT NULL,
204
+ [QuanResultID] [int] NOT NULL,
205
+ [QuanChannelID] [int] NOT NULL
206
+ );
207
+ CREATE TABLE [EventAreaAnnotations] (
208
+ [EventID] INTEGER PRIMARY KEY NOT NULL,
209
+ [Charge] [smallint] NOT NULL,
210
+ [IsotopePatternID] [int] NOT NULL,
211
+ [QuanResultID] [int] NOT NULL
212
+ );
213
+ CREATE TABLE [Events] (
214
+ [EventID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
215
+ [Mass] [double] NOT NULL,
216
+ [MassAvg] [double] NOT NULL,
217
+ [Area] [float] NOT NULL,
218
+ [Intensity] [float] NOT NULL,
219
+ [PeakWidth] [float] NOT NULL,
220
+ [RT] [double] NOT NULL,
221
+ [LeftRT] [float] NOT NULL,
222
+ [RightRT] [float] NOT NULL,
223
+ [SN][float] DEFAULT 0.0 NOT NULL,
224
+ [FileID] [int] NOT NULL
225
+ );
226
+ CREATE TABLE [FastaFiles] (
227
+ [FastaFileID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
228
+ [FileName] [varchar] (256) UNIQUE COLLATE NOCASE NOT NULL ,
229
+ [State] [int] NOT NULL ,
230
+ [VirtualFileName] [varchar] (256) COLLATE NOCASE NOT NULL ,
231
+ [FileSize] [bigint] NOT NULL ,
232
+ [FileTime] [bigint] NOT NULL ,
233
+ [NumberOfProteins] [bigint] NULL ,
234
+ [NumberOfAminoAcids] [bigint] NULL ,
235
+ [FileHashCode] [bigint] NULL ,
236
+ [Hidden] [bit] NOT NULL ,
237
+ [IsSrfImport] [bit] NOT NULL ,
238
+ [IsScheduledForDeletion] [bit] DEFAULT 0 NOT NULL
239
+ );
240
+ CREATE TABLE [FastaFilesProteinAnnotations] (
241
+ [FastaFileID] [int] NOT NULL ,
242
+ [ProteinAnnotationID] [int] NOT NULL ,
243
+ PRIMARY KEY (
244
+ [FastaFileID],
245
+ [ProteinAnnotationID]
246
+ )
247
+ );
248
+ CREATE TABLE [FileInfos] (
249
+ [FileID] [int] PRIMARY KEY NOT NULL ,
250
+ [FileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
251
+ [FileTime] [datetime] NOT NULL ,
252
+ [FileSize] [bigint] NOT NULL ,
253
+ [PhysicalFileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
254
+ [FileType] [smallint] NOT NULL
255
+ );
256
+ CREATE TABLE [MassPeakRelations] (
257
+ [MassPeakID] [int] NOT NULL,
258
+ [RelatedMassPeakID] [int] NOT NULL,
259
+ PRIMARY KEY (
260
+ [MassPeakID],
261
+ [RelatedMassPeakID]
262
+ )
263
+ );
264
+ CREATE TABLE [MassPeaks] (
265
+ [MassPeakID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
266
+ [Charge] [smallint] NULL ,
267
+ [Intensity] [double] NULL ,
268
+ [Mass] [double] NULL ,
269
+ [ScanNumbers] [varchar](1000) NULL,
270
+ [FileID] [int] NULL,
271
+ [PercentIsolationInterference] [float] NULL,
272
+ [IonInjectTime] [int] NULL,
273
+ UNIQUE(
274
+ [Charge],
275
+ [Mass],
276
+ [ScanNumbers],
277
+ [FileID]
278
+ )
279
+ );
280
+ CREATE TABLE [PeptideScores] (
281
+ [ProcessingNodeNumber] [int] NOT NULL ,
282
+ [PeptideID] [int] NOT NULL ,
283
+ [ScoreID] [int] NOT NULL ,
284
+ [ProcessingNodeID] [int] NULL ,
285
+ [ScoreValue] [double] NOT NULL ,
286
+ PRIMARY KEY (
287
+ [ProcessingNodeNumber],
288
+ [PeptideID],
289
+ [ScoreID]
290
+ )
291
+ );
292
+ CREATE TABLE [PeptideScores_decoy] (
293
+ [ProcessingNodeNumber] [int] NOT NULL ,
294
+ [PeptideID] [int] NOT NULL ,
295
+ [ScoreID] [int] NOT NULL ,
296
+ [ProcessingNodeID] [int] NULL ,
297
+ [ScoreValue] [double] NOT NULL,
298
+ PRIMARY KEY (
299
+ [ProcessingNodeNumber],
300
+ [PeptideID],
301
+ [ScoreID]
302
+ )
303
+ );
304
+ CREATE TABLE [Peptides] (
305
+ [ProcessingNodeNumber] [int] NOT NULL ,
306
+ [PeptideID] [int] NOT NULL ,
307
+ [SpectrumID] [int] NOT NULL ,
308
+ [TotalIonsCount] [smallint] NOT NULL ,
309
+ [MatchedIonsCount] [smallint] NOT NULL ,
310
+ [ConfidenceLevel] [smallint] NOT NULL ,
311
+ [SearchEngineRank] [int] NOT NULL,
312
+ [Hidden] [bit] DEFAULT 0 NOT NULL ,
313
+ [Sequence] [varchar] (1024) COLLATE NOCASE NULL,
314
+ [Annotation] [varchar] (1024) COLLATE NOCASE NULL ,
315
+ [UniquePeptideSequenceID] [int] DEFAULT 1 NOT NULL,
316
+ [MissedCleavages] [smallint] NOT NULL,
317
+ PRIMARY KEY (
318
+ [ProcessingNodeNumber],
319
+ [PeptideID]
320
+ )
321
+ );
322
+ CREATE TABLE [PeptidesAminoAcidModifications] (
323
+ [ProcessingNodeNumber] [int] NOT NULL ,
324
+ [PeptideID] [int] NOT NULL ,
325
+ [AminoAcidModificationID] [int] NOT NULL ,
326
+ [Position] [int] NOT NULL ,
327
+ PRIMARY KEY (
328
+ [ProcessingNodeNumber],
329
+ [PeptideID],
330
+ [AminoAcidModificationID],
331
+ [Position]
332
+ )
333
+ );
334
+ CREATE TABLE [PeptidesAminoAcidModifications_decoy] (
335
+ [ProcessingNodeNumber] [int] NOT NULL ,
336
+ [PeptideID] [int] NOT NULL ,
337
+ [AminoAcidModificationID] [int] NOT NULL ,
338
+ [Position] [int] NOT NULL,
339
+ PRIMARY KEY (
340
+ [ProcessingNodeNumber],
341
+ [PeptideID],
342
+ [AminoAcidModificationID],
343
+ [Position]
344
+ )
345
+ );
346
+ CREATE TABLE [PeptidesProteins] (
347
+ [ProcessingNodeNumber] [int] NOT NULL ,
348
+ [PeptideID] [int] NOT NULL ,
349
+ [ProteinID] [int] NOT NULL ,
350
+ PRIMARY KEY (
351
+ [ProcessingNodeNumber],
352
+ [PeptideID],
353
+ [ProteinID]
354
+ )
355
+ );
356
+ CREATE TABLE [PeptidesProteins_decoy] (
357
+ [ProcessingNodeNumber] [int] NOT NULL ,
358
+ [PeptideID] [int] NOT NULL ,
359
+ [ProteinID] [int] NOT NULL ,
360
+ PRIMARY KEY (
361
+ [ProcessingNodeNumber],
362
+ [PeptideID],
363
+ [ProteinID]
364
+ )
365
+ );
366
+ CREATE TABLE [PeptidesTerminalModifications] (
367
+ [ProcessingNodeNumber] [int] NOT NULL ,
368
+ [PeptideID] [int] NOT NULL ,
369
+ [TerminalModificationID] [int] NOT NULL ,
370
+ PRIMARY KEY (
371
+ [ProcessingNodeNumber],
372
+ [PeptideID],
373
+ [TerminalModificationID]
374
+ )
375
+ );
376
+ CREATE TABLE [PeptidesTerminalModifications_decoy] (
377
+ [ProcessingNodeNumber] [int] NOT NULL ,
378
+ [PeptideID] [int] NOT NULL ,
379
+ [TerminalModificationID] [int] NOT NULL ,
380
+ PRIMARY KEY (
381
+ [ProcessingNodeNumber],
382
+ [PeptideID],
383
+ [TerminalModificationID]
384
+ )
385
+ );
386
+ CREATE TABLE [Peptides_decoy] (
387
+ [ProcessingNodeNumber] [int] NOT NULL ,
388
+ [PeptideID] [int] NOT NULL ,
389
+ [SpectrumID] [int] NOT NULL ,
390
+ [TotalIonsCount] [smallint] NOT NULL ,
391
+ [MatchedIonsCount] [smallint] NOT NULL ,
392
+ [ConfidenceLevel] [smallint] NOT NULL ,
393
+ [SearchEngineRank] [int] NOT NULL,
394
+ [Sequence] [varchar] (1024) COLLATE NOCASE NULL,
395
+ [Annotation] [varchar] (1024) COLLATE NOCASE NULL ,
396
+ [UniquePeptideSequenceID] int DEFAULT 1 NOT NULL,
397
+ [MissedCleavages] [smallint] NOT NULL,
398
+ PRIMARY KEY (
399
+ [ProcessingNodeNumber],
400
+ [PeptideID]
401
+ )
402
+ );
403
+ CREATE TABLE [PrecursorIonAreaSearchSpectra] (
404
+ [QuanResultID] [int] NOT NULL ,
405
+ [SearchSpectrumID] [int] NULL
406
+ );
407
+ CREATE TABLE [PrecursorIonQuanResults] (
408
+ [QuanChannelID][int] NOT NULL,
409
+ [QuanResultID][int] NOT NULL,
410
+ [Mass] [double] NOT NULL ,
411
+ [Charge] [int] NOT NULL ,
412
+ [Area] [double] NULL ,
413
+ [RetentionTime] [double] NULL
414
+ );
415
+ CREATE TABLE [PrecursorIonQuanResultsSearchSpectra] (
416
+ [ProcessingNodeNumber] [int] NOT NULL ,
417
+ [QuanResultID] [int] NOT NULL ,
418
+ [SearchSpectrumID] [int] NULL
419
+ );
420
+ CREATE TABLE [ProcessingNodeConnectionPoints] (
421
+ [ProcessingNodeID] INTEGER NOT NULL,
422
+ [Interface] [varchar] (256) NOT NULL,
423
+ [ConnectionDirection] [int] NOT NULL,
424
+ [ConnectionMode] [int] NOT NULL,
425
+ [ConnectionMultiplicity] [int] NOT NULL,
426
+ [ConnectionRequirement] [int] NOT NULL,
427
+ [DataTypeSpecialization] [varchar] (256) NOT NULL,
428
+ [ConnectionDisplayName] [varchar] (256) NOT NULL
429
+ );
430
+ CREATE TABLE ProcessingNodeExtensions(
431
+ [ExtensionID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
432
+ [ProcessingNodeNumber] [int] NOT NULL,
433
+ [Guid] [varchar] (36) COLLATE NOCASE NOT NULL,
434
+ [Purpose] [varchar](256) COLLATE NOCASE NOT NULL,
435
+ [PurposeDetail] [varchar](256) COLLATE NOCASE NULL,
436
+ [MajorVersion] [int] NOT NULL,
437
+ [MinorVersion] [int] NOT NULL,
438
+ [Settings] [text]
439
+ );
440
+ CREATE TABLE [ProcessingNodeFilterParameters] (
441
+ [ProcessingNodeNumber] [int] NOT NULL ,
442
+ [FilterParameterName] [varchar] (50) COLLATE NOCASE NOT NULL ,
443
+ [FilterModuleTypeID] [int] NOT NULL ,
444
+ [FilterModuleNumber] [int] NOT NULL ,
445
+ [ProcessingNodeID] [int] NOT NULL ,
446
+ [FilterParameterValue] [double] NOT NULL ,
447
+ PRIMARY KEY ( [ProcessingNodeNumber], [FilterParameterName])
448
+ );
449
+ CREATE TABLE [ProcessingNodeInterfaces] (
450
+ [ProcessingNodeID] INTEGER NOT NULL,
451
+ [InterfaceKind] [int] NOT NULL,
452
+ [InterfaceName] [varchar] (256) NOT NULL
453
+ );
454
+ CREATE TABLE [ProcessingNodeParameters] (
455
+ [ProcessingNodeNumber] [int] NOT NULL ,
456
+ [ParameterName] [varchar] (50) COLLATE NOCASE NOT NULL ,
457
+ [FriendlyName] [varchar](256) COLLATE NOCASE NOT NULL,
458
+ [ProcessingNodeID] [int] NOT NULL ,
459
+ [IntendedPurpose] [int] NOT NULL,
460
+ [PurposeDetails] [varchar] (1024) COLLATE NOCASE NOT NULL,
461
+ [Hidden] [bit] NOT NULL,
462
+ [Advanced] [bit] NOT NULL,
463
+ [Category] [varchar] (50) COLLATE NOCASE NOT NULL,
464
+ [Position] [int] NOT NULL,
465
+ [ParameterValue] [varchar] (50) COLLATE NOCASE NOT NULL ,
466
+ [ValueDisplayString] [varchar] (1024) COLLATE NOCASE NOT NULL,
467
+ PRIMARY KEY ( [ProcessingNodeNumber], [ParameterName] )
468
+ );
469
+ CREATE TABLE [ProcessingNodeScores] (
470
+ [ProcessingNodeID] [int] NOT NULL ,
471
+ [ScoreID] INTEGER PRIMARY KEY AUTOINCREMENT ,
472
+ [ScoreName] [varchar] (50) COLLATE NOCASE NOT NULL ,
473
+ [FriendlyName] [varchar](256) COLLATE NOCASE NOT NULL,
474
+ [Description] [varchar](1024) COLLATE NOCASE NOT NULL,
475
+ [FormatString] [varchar](64) COLLATE NOCASE NOT NULL,
476
+ [ScoreCategory] [int] NOT NULL,
477
+ [Hidden] [bit] NOT NULL,
478
+ [IsMainScore] [bit] NOT NULL,
479
+ [ScoreGUID] [varchar] (36) COLLATE NOCASE NOT NULL,
480
+ UNIQUE ([ProcessingNodeID], [ScoreName])
481
+ );
482
+ CREATE TABLE [ProcessingNodes] (
483
+ [ProcessingNodeNumber] [int] PRIMARY KEY NOT NULL ,
484
+ [ProcessingNodeID] [int] NOT NULL ,
485
+ [ProcessingNodeParentNumber] [varchar] (36) COLLATE NOCASE NOT NULL ,
486
+ [NodeName] [varchar] (128) COLLATE NOCASE NULL ,
487
+ [FriendlyName] [varchar](256) COLLATE NOCASE NOT NULL,
488
+ [MajorVersion] [int] NOT NULL ,
489
+ [MinorVersion] [int] NOT NULL ,
490
+ [NodeComment] [varchar] (256) COLLATE NOCASE NULL ,
491
+ [NodeGUID] [varchar] (36) COLLATE NOCASE NOT NULL,
492
+ [ProcessingNodeState] [int] DEFAULT 0 NOT NULL
493
+ );
494
+ CREATE TABLE ProcessingNodesSpectra (
495
+ [SendingProcessingNodeNumber] [int] NOT NULL,
496
+ [SpectrumID] [int] NOT NULL,
497
+ PRIMARY KEY (
498
+ [SendingProcessingNodeNumber],
499
+ [SpectrumID]
500
+ )
501
+ );
502
+ CREATE TABLE [ProteinAnnotations] (
503
+ [ProteinAnnotationID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
504
+ [ProteinID] [int] NOT NULL ,
505
+ [DescriptionHashCode] [bigint] NOT NULL ,
506
+ [Description] [text] NOT NULL,
507
+ [TaxonomyID] [int] NOT NULL
508
+ );
509
+ CREATE TABLE [ProteinIdentificationGroups] (
510
+ [ProteinIdentificationGroupId] [int] NOT NULL,
511
+ [ProcessingNodeNumber] [int] NOT NULL,
512
+ PRIMARY KEY (
513
+ [ProteinIdentificationGroupId],
514
+ [ProcessingNodeNumber]
515
+ )
516
+ );
517
+ CREATE TABLE [ProteinScores] (
518
+ [ProcessingNodeNumber] [int] NOT NULL,
519
+ [ProteinID] [int] NOT NULL ,
520
+ [ProteinIdentificationGroupID] [int] NOT NULL ,
521
+ [ProteinScore] [double] NOT NULL ,
522
+ [Coverage] [double] DEFAULT 0 NOT NULL ,
523
+ PRIMARY KEY (
524
+ [ProcessingNodeNumber],
525
+ [ProteinID]
526
+ )
527
+ );
528
+ CREATE TABLE [ProteinScores_decoy] (
529
+ [ProcessingNodeNumber] [int] NOT NULL,
530
+ [ProteinID] [int] NOT NULL ,
531
+ [ProteinIdentificationGroupID] [int] NOT NULL ,
532
+ [ProteinScore] [double] NOT NULL ,
533
+ [Coverage] [double] DEFAULT 0 NOT NULL ,
534
+ PRIMARY KEY (
535
+ [ProcessingNodeNumber],
536
+ [ProteinID]
537
+ )
538
+ );
539
+ CREATE TABLE [Proteins] (
540
+ [ProteinID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
541
+ [Sequence] [text] NOT NULL ,
542
+ [SequenceHashCode] [bigint] NOT NULL
543
+ , [IsMasterProtein] [bit] DEFAULT 0 NOT NULL);
544
+ CREATE TABLE [ProteinsProteinGroups](
545
+ [ProteinID] [int] NOT NULL,
546
+ [ProteinGroupID] [int] NOT NULL
547
+ );
548
+ CREATE TABLE PtmAnnotationData(
549
+ [ProteinId] INTEGER NOT NULL,
550
+ [PtmUnimodId] INTEGER NOT NULL,
551
+ [Position] INTEGER NOT NULL,
552
+ PRIMARY KEY (
553
+ [ProteinId],
554
+ [PtmUnimodId],
555
+ [Position]
556
+ )
557
+ );
558
+ CREATE TABLE [ReporterIonQuanResults] (
559
+ [ProcessingNodeNumber] [int] NOT NULL ,
560
+ [QuanChannelID] [int] NOT NULL ,
561
+ [SpectrumID] [int] NOT NULL ,
562
+ [Mass] [double] NOT NULL ,
563
+ [Height] [double] NULL ,
564
+ PRIMARY KEY (
565
+ [ProcessingNodeNumber],
566
+ [QuanChannelID],
567
+ [SpectrumID]
568
+ )
569
+ );
570
+ CREATE TABLE [ReporterIonQuanResultsSearchSpectra] (
571
+ [ProcessingNodeNumber] [int] NOT NULL ,
572
+ [SpectrumID] [int] NOT NULL ,
573
+ [SearchSpectrumID] [int] NULL
574
+ );
575
+ CREATE TABLE [ScanEvents] (
576
+ [ScanEventID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
577
+ [MSLevel] [tinyint] NOT NULL ,
578
+ [Polarity] [tinyint] NOT NULL ,
579
+ [ScanType] [tinyint] NOT NULL ,
580
+ [Ionization] [tinyint] NOT NULL ,
581
+ [MassAnalyzer] [tinyint] NOT NULL ,
582
+ [ActivationType] [tinyint] NOT NULL ,
583
+ UNIQUE (
584
+ [MSLevel],
585
+ [Polarity],
586
+ [ScanType],
587
+ [Ionization],
588
+ [MassAnalyzer],
589
+ [ActivationType]
590
+ )
591
+ );
592
+ CREATE TABLE [SchemaInfo] (
593
+ [Version] [int] PRIMARY KEY NOT NULL,
594
+ [Kind] [varchar] (32) NOT NULL,
595
+ [Date] [datetime] NOT NULL,
596
+ [SoftwareVersion] [varchar] (64) NOT NULL,
597
+ [Comment] [text] NOT NULL
598
+ );
599
+ CREATE TABLE Spectra (
600
+ [UniqueSpectrumID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
601
+ [Spectrum] [binary] NOT NULL,
602
+ [SpectrumHashCode] [bigint] NULL
603
+ );
604
+ CREATE TABLE [SpectrumHeaders] (
605
+ [SpectrumID] [INTEGER] PRIMARY KEY NOT NULL ,
606
+ [MassPeakID] [int] NULL ,
607
+ [ScanEventID] [int] NULL ,
608
+ [LastScan] [int] NULL ,
609
+ [FirstScan] [int] NULL ,
610
+ [RetentionTime] [double] NULL ,
611
+ [Hidden] [bit] DEFAULT 0 NOT NULL ,
612
+ [ScanNumbers] [varchar](1000) NULL ,
613
+ [Charge] [smallint] NULL ,
614
+ [Mass] [double] NULL,
615
+ [CreatingProcessingNodeNumber] [int] NOT NULL,
616
+ [UniqueSpectrumID] [int] DEFAULT 0 NOT NULL
617
+ );
618
+ CREATE TABLE SpectrumScores (
619
+ [ProcessingNodeNumber] [int] NOT NULL,
620
+ [SpectrumID] [int] NOT NULL,
621
+ [Score] [double] NOT NULL,
622
+ PRIMARY KEY (
623
+ [SpectrumID],
624
+ [ProcessingNodeNumber]
625
+ )
626
+ );
627
+ CREATE TABLE [TaxonomyNames] (
628
+ [TaxonomyID] INTEGER NOT NULL ,
629
+ [Name] [varchar](1024) COLLATE NOCASE NULL ,
630
+ [NameCategory] INTEGER NOT NULL ,
631
+ UNIQUE (
632
+ TaxonomyID,
633
+ Name,
634
+ NameCategory
635
+ )
636
+ );
637
+ CREATE TABLE [TaxonomyNodes] (
638
+ [TaxonomyID] INTEGER PRIMARY KEY NOT NULL ,
639
+ [ParentTaxonomyID] INTEGER NOT NULL ,
640
+ [TaxonomyRank] INTEGER NOT NULL ,
641
+ [LeftNodeIndex] INTEGER NOT NULL ,
642
+ [RightNodeIndex] INTEGER NOT NULL,
643
+ UNIQUE (TaxonomyID)
644
+ );
645
+ CREATE TABLE [WorkflowInfo] (
646
+ [WorkflowName] [varchar] (256) COLLATE NOCASE NOT NULL ,
647
+ [WorkflowDescription] [varchar] (256) COLLATE NOCASE NOT NULL ,
648
+ [WorkflowState] [int] DEFAULT 0 NOT NULL ,
649
+ [WorkflowStartDate] [datetime] NOT NULL ,
650
+ [WorkflowTemplate] [varchar] (256) NOT NULL ,
651
+ [User] [varchar] (256) COLLATE NOCASE NOT NULL ,
652
+ [WorkflowGUID] [varchar] (36) COLLATE NOCASE NOT NULL ,
653
+ [MachineGUID] [varchar] (36) COLLATE NOCASE NOT NULL ,
654
+ [MachineName] [varchar] (256) COLLATE NOCASE NOT NULL,
655
+ [MergeSimilarIdentificationResults] [bit] NOT NULL,
656
+ [IsValid] [bit] NOT NULL,
657
+ [Version] [int] NOT NULL
658
+ );
659
+ CREATE TABLE [WorkflowMessages] (
660
+ [MessageID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
661
+ [ProcessingNodeID] [int] NOT NULL ,
662
+ [ProcessingNodeNumber] [int] NOT NULL ,
663
+ [Time] [bigint] NOT NULL ,
664
+ [MessageKind] [int] NOT NULL ,
665
+ [Message] [varchar] (1024) COLLATE NOCASE NOT NULL
666
+ );