msf 0.1.0
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- data/.document +5 -0
- data/.rspec +1 -0
- data/Gemfile +24 -0
- data/Gemfile.lock +67 -0
- data/LICENSE.txt +20 -0
- data/README.md +45 -0
- data/Rakefile +43 -0
- data/VERSION +1 -0
- data/bin/ibspectra +43 -0
- data/erd/config.png +0 -0
- data/erd/empty.png +0 -0
- data/erd/erd.png +0 -0
- data/erd/msf.xcdatamodeld/.xccurrentversion +8 -0
- data/erd/msf.xcdatamodeld/msf.xcdatamodel/contents +330 -0
- data/erd/schema.txt +666 -0
- data/lib/msf.rb +2 -0
- data/lib/msf/models.rb +4 -0
- data/lib/msf/models/amino_acid.rb +50 -0
- data/lib/msf/models/amino_acid_modification.rb +55 -0
- data/lib/msf/models/amino_acid_modification_neutral_loss.rb +31 -0
- data/lib/msf/models/amino_acid_modifications_amino_acid_nls.rb +23 -0
- data/lib/msf/models/amino_acid_modifications_amino_acids.rb +27 -0
- data/lib/msf/models/annotation_data_version.rb +20 -0
- data/lib/msf/models/annotation_dataset.rb +29 -0
- data/lib/msf/models/annotation_group.rb +38 -0
- data/lib/msf/models/annotation_type.rb +23 -0
- data/lib/msf/models/chromatogram.rb +26 -0
- data/lib/msf/models/custom_data_field.rb +56 -0
- data/lib/msf/models/custom_data_peptide.rb +25 -0
- data/lib/msf/models/custom_data_processing_node.rb +25 -0
- data/lib/msf/models/custom_data_protein.rb +25 -0
- data/lib/msf/models/custom_data_spectrum.rb +25 -0
- data/lib/msf/models/enzyme.rb +32 -0
- data/lib/msf/models/fasta_file.rb +50 -0
- data/lib/msf/models/file_info.rb +41 -0
- data/lib/msf/models/mass_peak.rb +36 -0
- data/lib/msf/models/peptide.rb +118 -0
- data/lib/msf/models/peptide_score.rb +34 -0
- data/lib/msf/models/peptide_score_decoy.rb +34 -0
- data/lib/msf/models/peptide_terminal_modification.rb +29 -0
- data/lib/msf/models/peptides_amino_acid_modifications.rb +32 -0
- data/lib/msf/models/peptides_proteins.rb +27 -0
- data/lib/msf/models/processing_node.rb +65 -0
- data/lib/msf/models/processing_node_score.rb +45 -0
- data/lib/msf/models/protein.rb +38 -0
- data/lib/msf/models/protein_annotation.rb +35 -0
- data/lib/msf/models/protein_identification_group.rb +19 -0
- data/lib/msf/models/protein_score.rb +34 -0
- data/lib/msf/models/reporter_ion_quan_result.rb +31 -0
- data/lib/msf/models/reporter_ion_quan_result_search_spectrum.rb +29 -0
- data/lib/msf/models/scan_event.rb +37 -0
- data/lib/msf/models/schema_info.rb +29 -0
- data/lib/msf/models/spectrum.rb +34 -0
- data/lib/msf/models/spectrum_header.rb +63 -0
- data/lib/msf/models/spectrum_score.rb +24 -0
- data/lib/msf/models/taxonomy_name.rb +26 -0
- data/lib/msf/models/workflow_info.rb +46 -0
- data/lib/msf/models/workflow_message.rb +31 -0
- data/lib/msf/msf.rb +32 -0
- data/lib/msf/sql/enzyme_cleavage_specificity.rb +16 -0
- data/lib/msf/sql/false_discovery_rate.rb +24 -0
- data/lib/msf/sql/fasta_file_protein_annotation.rb +17 -0
- data/lib/msf/sql/mass_peak_relation.rb +17 -0
- data/lib/msf/sql/peptide_amino_acid_modification_decoy.rb +23 -0
- data/lib/msf/sql/peptide_decoy.rb +32 -0
- data/lib/msf/sql/peptide_terminal_modification_decoy.rb +20 -0
- data/lib/msf/sql/precursor_ion_quan_result.rb +29 -0
- data/lib/msf/sql/precursor_ion_quan_result_event_spectrum.rb +17 -0
- data/lib/msf/sql/precursor_ion_quan_result_search_spectrum.rb +20 -0
- data/lib/msf/sql/processing_node_filter_parameter.rb +29 -0
- data/lib/msf/sql/processing_node_interface.rb +19 -0
- data/lib/msf/sql/processing_node_parameter.rb +46 -0
- data/lib/msf/sql/processing_node_spectrum.rb +16 -0
- data/lib/msf/sql/quan_result.rb +40 -0
- data/lib/msf/sql/result_filter_set.rb +12 -0
- data/lib/msf/sql/taxonomy_node.rb +26 -0
- data/msf.gemspec +143 -0
- data/spec/msf_spec.rb +7 -0
- data/spec/spec_helper.rb +14 -0
- metadata +275 -0
data/erd/schema.txt
ADDED
@@ -0,0 +1,666 @@
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+
CREATE TABLE [AminoAcidModifications] (
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2
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[AminoAcidModificationID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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3
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[ModificationName] [varchar] (250) COLLATE NOCASE NOT NULL ,
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4
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+
[DeltaMass] [double] NULL ,
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5
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+
[Substitution] [varchar] (50) COLLATE NOCASE NULL ,
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6
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+
[LeavingGroup] [varchar] (50) COLLATE NOCASE NULL ,
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7
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+
[Abbreviation] [varchar] (50) COLLATE NOCASE NOT NULL ,
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8
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+
[PositionType] [int] NOT NULL ,
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9
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[IsActive] [bit] NULL ,
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10
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+
[DeltaAverageMass] [double] NULL,
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11
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+
[UnimodAccession] [long] NULL,
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12
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[IsSubstitution] [bool] DEFAULT 0 NOT NULL,
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UNIQUE (
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14
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[ModificationName],
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15
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+
[PositionType]
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16
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+
),
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UNIQUE (
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18
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[Abbreviation],
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19
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+
[PositionType]
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20
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+
)
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);
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CREATE TABLE [AminoAcidModificationsAminoAcids] (
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[AminoAcidModificationID] [int] NOT NULL ,
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[AminoAcidID] [int] NOT NULL ,
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25
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[Classification][int] NOT NULL,
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PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID] )
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27
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);
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CREATE TABLE [AminoAcidModificationsAminoAcidsNL] (
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[AminoAcidModificationID] [int] NOT NULL ,
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30
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[AminoAcidID] [int] NOT NULL ,
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31
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+
[NeutralLossID] [int] NOT NULL ,
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32
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PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID], [NeutralLossID] )
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33
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);
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34
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CREATE TABLE [AminoAcidModificationsNeutralLosses](
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[NeutralLossID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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36
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+
[Name] [varchar] (50) COLLATE NOCASE NOT NULL ,
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37
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+
[MonoisotopicMass] [double] NOT NULL ,
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38
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+
[AverageMass] [double] NOT NULL
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);
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CREATE TABLE [AminoAcids] (
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[AminoAcidID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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[AminoAcidName] [varchar] (50) COLLATE NOCASE NOT NULL ,
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43
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+
[OneLetterCode] [char] (1) NULL ,
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[ThreeLetterCode] [char] (3) COLLATE NOCASE UNIQUE NULL ,
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45
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+
[MonoisotopicMass] [double] NOT NULL ,
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46
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+
[AverageMass] [double] NOT NULL ,
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47
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[SumFormula] [varchar] (50) COLLATE NOCASE NULL
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48
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);
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49
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CREATE TABLE AnnotationDataVersion(
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50
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[PcDataVersion] INTEGER PRIMARY KEY NOT NULL,
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51
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[PcDataRelease] [bigint] NOT NULL
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);
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53
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CREATE TABLE AnnotationDataset(
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54
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[DatasetId] INTEGER PRIMARY KEY NOT NULL ,
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55
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[Name] [varchar] (50) COLLATE NOCASE NOT NULL ,
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56
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[DisplayName] [varchar] (30) COLLATE NOCASE NOT NULL ,
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57
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+
[Guid] [varchar] (50) COLLATE NOCASE NOT NULL,
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58
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[Description] [text]
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);
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60
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CREATE TABLE AnnotationGroups(
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61
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[AnnotationGroupId] [int] NOT NULL,
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62
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[Description] [text],
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63
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[DatasetId] [int] NOT NULL,
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64
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[Position][int] NOT NULL,
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65
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[ColorR][int] NOT NULL,
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66
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+
[ColorG][int] NOT NULL,
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67
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[ColorB][int] NOT NULL,
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[GroupDefinition][Blob],
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PRIMARY KEY (
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[AnnotationGroupId],
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[DatasetId]
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)
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);
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CREATE TABLE AnnotationTypes(
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[AnnotationTypeId] INTEGER PRIMARY KEY NOT NULL ,
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76
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[Name] [varchar] (30) COLLATE NOCASE NOT NULL ,
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77
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[Description] [text]
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);
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79
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CREATE TABLE Annotations(
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80
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[AnnotationId] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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81
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[Accession] [varchar] (30) COLLATE NOCASE NOT NULL ,
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82
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[Description] [text],
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83
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[type] [int]
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);
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85
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CREATE TABLE AnnotationsAnnotationGroups(
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86
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[AnnotationId] [int] NOT NULL,
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87
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[AnnotationGroupId] [int] NOT NULL,
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88
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PRIMARY KEY (
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[AnnotationId],
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90
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[AnnotationGroupId]
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)
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92
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);
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93
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CREATE TABLE AnnotationsProtein(
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94
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[proteinID] [int] NOT NULL ,
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95
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[AnnotationId] [int] NOT NULL,
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96
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[Evidence] [int],
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97
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[PositionBegin][int],
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98
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[PositionEnd][int],
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99
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[ProteinAccession] [varchar] (30) COLLATE NOCASE NOT NULL,
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100
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PRIMARY KEY (
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101
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[proteinID],
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102
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[AnnotationId],
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[Evidence],
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104
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[PositionBegin],
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105
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[ProteinAccession]
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)
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107
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);
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108
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CREATE TABLE Chromatograms (
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109
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[FileID] [int] NOT NULL,
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110
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[TraceType] [int] NOT NULL,
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111
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[Chromatogram] [binary] NOT NULL,
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112
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PRIMARY KEY (
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113
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[FileID],
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114
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[TraceType]
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115
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)
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116
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);
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117
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CREATE TABLE CustomDataFields (
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118
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[FieldID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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119
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[Guid] [varchar] (50) COLLATE NOCASE NOT NULL,
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120
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+
[DisplayName][varchar](50) COLLATE NOCASE NOT NULL,
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121
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+
[SourceNodeNumber] [int] NOT NULL,
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122
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+
[TargetNodeNumber] [int] NOT NULL,
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123
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[DataType][int] NOT NULL,
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124
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[DataTarget][int] NOT NULL,
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125
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[Version][double] NOT NULL,
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126
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[AccessMode][int] DEFAULT 0,
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127
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[Visibility][int] DEFAULT 0,
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128
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[GroupVisibility][int] DEFAULT 0,
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129
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[Format][varchar](20),
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130
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+
[PlotType][int] NOT NULL,
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131
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[DataPurpose][varchar](250)
|
132
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);
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133
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CREATE TABLE CustomDataPeptides (
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134
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[FieldID] [int] NOT NULL,
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135
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[PeptideID] [int] NOT NULL,
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136
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[FieldValue] [variant],
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137
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PRIMARY KEY (
|
138
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[FieldID],
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139
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[PeptideID]
|
140
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)
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141
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);
|
142
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CREATE TABLE CustomDataPeptides_decoy (
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143
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[FieldID] [int] NOT NULL,
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144
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[PeptideID] [int] NOT NULL,
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145
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[FieldValue] [variant],
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146
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PRIMARY KEY (
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147
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[FieldID],
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148
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[PeptideID]
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149
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)
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150
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);
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151
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CREATE TABLE CustomDataProcessingNodes (
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152
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[FieldID] [int] NOT NULL,
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153
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[ProcessingNodeNumber] [int] NOT NULL,
|
154
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[FieldValue] [variant],
|
155
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PRIMARY KEY (
|
156
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[FieldID],
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157
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[ProcessingNodeNumber]
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158
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)
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159
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);
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160
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CREATE TABLE CustomDataProteins (
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161
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[FieldID] [int] NOT NULL,
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162
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[ProteinID] [int] NOT NULL,
|
163
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[FieldValue] [variant],
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164
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PRIMARY KEY (
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165
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[FieldID],
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166
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[ProteinID]
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167
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)
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168
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);
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169
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CREATE TABLE CustomDataProteins_decoy (
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170
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[FieldID] [int] NOT NULL,
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171
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[ProteinID] [int] NOT NULL,
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172
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[FieldValue] [variant],
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173
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PRIMARY KEY (
|
174
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[FieldID],
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175
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[ProteinID]
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176
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)
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177
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);
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178
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CREATE TABLE CustomDataSpectra (
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179
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[FieldID] [int] NOT NULL,
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180
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[SpectrumID] [int] NOT NULL,
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181
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[FieldValue] [variant],
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182
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PRIMARY KEY (
|
183
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[FieldID],
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184
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[SpectrumID]
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185
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)
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186
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);
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187
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CREATE TABLE [Enzymes] (
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188
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[EnzymeID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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189
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[Name] [varchar] (25) UNIQUE COLLATE NOCASE NOT NULL ,
|
190
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+
[Abbreviation] [varchar] (5) COLLATE NOCASE NOT NULL ,
|
191
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+
[Seperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
|
192
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+
[NonSeperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
|
193
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[Offset] [int] NOT NULL
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194
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);
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195
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CREATE TABLE [EnzymesCleavageSpecificities] (
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196
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[EnzymeID] [int] NOT NULL ,
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197
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[Specificity] [int] NOT NULL ,
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198
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PRIMARY KEY (EnzymeID, Specificity)
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199
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);
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200
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CREATE TABLE [EventAnnotations] (
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201
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[EventID] INTEGER PRIMARY KEY NOT NULL,
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202
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+
[Charge] [smallint] NOT NULL,
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203
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+
[IsotopePatternID] [int] NOT NULL,
|
204
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[QuanResultID] [int] NOT NULL,
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205
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[QuanChannelID] [int] NOT NULL
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206
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);
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207
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CREATE TABLE [EventAreaAnnotations] (
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208
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[EventID] INTEGER PRIMARY KEY NOT NULL,
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209
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[Charge] [smallint] NOT NULL,
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210
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[IsotopePatternID] [int] NOT NULL,
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211
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[QuanResultID] [int] NOT NULL
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212
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);
|
213
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CREATE TABLE [Events] (
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214
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[EventID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
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215
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[Mass] [double] NOT NULL,
|
216
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+
[MassAvg] [double] NOT NULL,
|
217
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[Area] [float] NOT NULL,
|
218
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+
[Intensity] [float] NOT NULL,
|
219
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+
[PeakWidth] [float] NOT NULL,
|
220
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[RT] [double] NOT NULL,
|
221
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+
[LeftRT] [float] NOT NULL,
|
222
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[RightRT] [float] NOT NULL,
|
223
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+
[SN][float] DEFAULT 0.0 NOT NULL,
|
224
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[FileID] [int] NOT NULL
|
225
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+
);
|
226
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CREATE TABLE [FastaFiles] (
|
227
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+
[FastaFileID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
|
228
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+
[FileName] [varchar] (256) UNIQUE COLLATE NOCASE NOT NULL ,
|
229
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+
[State] [int] NOT NULL ,
|
230
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[VirtualFileName] [varchar] (256) COLLATE NOCASE NOT NULL ,
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231
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[FileSize] [bigint] NOT NULL ,
|
232
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[FileTime] [bigint] NOT NULL ,
|
233
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[NumberOfProteins] [bigint] NULL ,
|
234
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[NumberOfAminoAcids] [bigint] NULL ,
|
235
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[FileHashCode] [bigint] NULL ,
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236
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[Hidden] [bit] NOT NULL ,
|
237
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+
[IsSrfImport] [bit] NOT NULL ,
|
238
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[IsScheduledForDeletion] [bit] DEFAULT 0 NOT NULL
|
239
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+
);
|
240
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CREATE TABLE [FastaFilesProteinAnnotations] (
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241
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[FastaFileID] [int] NOT NULL ,
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242
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[ProteinAnnotationID] [int] NOT NULL ,
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243
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PRIMARY KEY (
|
244
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[FastaFileID],
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245
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[ProteinAnnotationID]
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246
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)
|
247
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);
|
248
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CREATE TABLE [FileInfos] (
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249
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[FileID] [int] PRIMARY KEY NOT NULL ,
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250
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[FileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
|
251
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[FileTime] [datetime] NOT NULL ,
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252
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[FileSize] [bigint] NOT NULL ,
|
253
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[PhysicalFileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
|
254
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+
[FileType] [smallint] NOT NULL
|
255
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+
);
|
256
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+
CREATE TABLE [MassPeakRelations] (
|
257
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+
[MassPeakID] [int] NOT NULL,
|
258
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+
[RelatedMassPeakID] [int] NOT NULL,
|
259
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PRIMARY KEY (
|
260
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[MassPeakID],
|
261
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+
[RelatedMassPeakID]
|
262
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+
)
|
263
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+
);
|
264
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CREATE TABLE [MassPeaks] (
|
265
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+
[MassPeakID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
|
266
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+
[Charge] [smallint] NULL ,
|
267
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+
[Intensity] [double] NULL ,
|
268
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[Mass] [double] NULL ,
|
269
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+
[ScanNumbers] [varchar](1000) NULL,
|
270
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+
[FileID] [int] NULL,
|
271
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+
[PercentIsolationInterference] [float] NULL,
|
272
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+
[IonInjectTime] [int] NULL,
|
273
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+
UNIQUE(
|
274
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+
[Charge],
|
275
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+
[Mass],
|
276
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+
[ScanNumbers],
|
277
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[FileID]
|
278
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+
)
|
279
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+
);
|
280
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+
CREATE TABLE [PeptideScores] (
|
281
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+
[ProcessingNodeNumber] [int] NOT NULL ,
|
282
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+
[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
|
+
);
|