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.
- 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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[AminoAcidModificationID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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[ModificationName] [varchar] (250) COLLATE NOCASE NOT NULL ,
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[DeltaMass] [double] NULL ,
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[Substitution] [varchar] (50) COLLATE NOCASE NULL ,
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[LeavingGroup] [varchar] (50) COLLATE NOCASE NULL ,
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[Abbreviation] [varchar] (50) COLLATE NOCASE NOT NULL ,
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[PositionType] [int] NOT NULL ,
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[IsActive] [bit] NULL ,
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[DeltaAverageMass] [double] NULL,
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[UnimodAccession] [long] NULL,
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[IsSubstitution] [bool] DEFAULT 0 NOT NULL,
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UNIQUE (
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[ModificationName],
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[PositionType]
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),
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UNIQUE (
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[Abbreviation],
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[PositionType]
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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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[Classification][int] NOT NULL,
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PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID] )
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);
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CREATE TABLE [AminoAcidModificationsAminoAcidsNL] (
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[AminoAcidModificationID] [int] NOT NULL ,
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[AminoAcidID] [int] NOT NULL ,
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[NeutralLossID] [int] NOT NULL ,
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PRIMARY KEY ( [AminoAcidModificationID],[AminoAcidID], [NeutralLossID] )
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);
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CREATE TABLE [AminoAcidModificationsNeutralLosses](
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[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 ,
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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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[OneLetterCode] [char] (1) NULL ,
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[ThreeLetterCode] [char] (3) COLLATE NOCASE UNIQUE NULL ,
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[MonoisotopicMass] [double] NOT NULL ,
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[AverageMass] [double] NOT NULL ,
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[SumFormula] [varchar] (50) COLLATE NOCASE NULL
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);
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CREATE TABLE AnnotationDataVersion(
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[PcDataVersion] INTEGER PRIMARY KEY NOT NULL,
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[PcDataRelease] [bigint] NOT NULL
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);
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CREATE TABLE AnnotationDataset(
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[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]
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);
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CREATE TABLE AnnotationGroups(
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[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,
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[ColorR][int] NOT NULL,
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[ColorG][int] NOT NULL,
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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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[Name] [varchar] (30) COLLATE NOCASE NOT NULL ,
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[Description] [text]
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);
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CREATE TABLE Annotations(
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[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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);
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CREATE TABLE AnnotationsAnnotationGroups(
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[AnnotationId] [int] NOT NULL,
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[AnnotationGroupId] [int] NOT NULL,
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PRIMARY KEY (
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[AnnotationId],
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[AnnotationGroupId]
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)
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);
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CREATE TABLE AnnotationsProtein(
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[proteinID] [int] NOT NULL ,
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[AnnotationId] [int] NOT NULL,
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[Evidence] [int],
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[PositionBegin][int],
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[PositionEnd][int],
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[ProteinAccession] [varchar] (30) COLLATE NOCASE NOT NULL,
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PRIMARY KEY (
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[proteinID],
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[AnnotationId],
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[Evidence],
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[PositionBegin],
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[ProteinAccession]
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)
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);
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CREATE TABLE Chromatograms (
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[FileID] [int] NOT NULL,
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[TraceType] [int] NOT NULL,
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[Chromatogram] [binary] NOT NULL,
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PRIMARY KEY (
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[FileID],
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[TraceType]
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)
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);
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CREATE TABLE CustomDataFields (
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[FieldID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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[Guid] [varchar] (50) COLLATE NOCASE NOT NULL,
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[DisplayName][varchar](50) COLLATE NOCASE NOT NULL,
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[SourceNodeNumber] [int] NOT NULL,
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[TargetNodeNumber] [int] NOT NULL,
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[DataType][int] NOT NULL,
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[DataTarget][int] NOT NULL,
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[Version][double] NOT NULL,
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[AccessMode][int] DEFAULT 0,
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[Visibility][int] DEFAULT 0,
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[GroupVisibility][int] DEFAULT 0,
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[Format][varchar](20),
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[PlotType][int] NOT NULL,
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[DataPurpose][varchar](250)
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);
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CREATE TABLE CustomDataPeptides (
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[FieldID] [int] NOT NULL,
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[PeptideID] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[PeptideID]
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)
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);
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CREATE TABLE CustomDataPeptides_decoy (
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[FieldID] [int] NOT NULL,
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[PeptideID] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[PeptideID]
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)
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);
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CREATE TABLE CustomDataProcessingNodes (
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[FieldID] [int] NOT NULL,
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[ProcessingNodeNumber] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[ProcessingNodeNumber]
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)
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);
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CREATE TABLE CustomDataProteins (
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[FieldID] [int] NOT NULL,
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[ProteinID] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[ProteinID]
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)
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);
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CREATE TABLE CustomDataProteins_decoy (
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[FieldID] [int] NOT NULL,
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[ProteinID] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[ProteinID]
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)
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);
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CREATE TABLE CustomDataSpectra (
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[FieldID] [int] NOT NULL,
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[SpectrumID] [int] NOT NULL,
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[FieldValue] [variant],
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PRIMARY KEY (
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[FieldID],
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[SpectrumID]
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)
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);
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CREATE TABLE [Enzymes] (
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[EnzymeID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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[Name] [varchar] (25) UNIQUE COLLATE NOCASE NOT NULL ,
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[Abbreviation] [varchar] (5) COLLATE NOCASE NOT NULL ,
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[Seperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
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[NonSeperator] [varchar] (10) COLLATE NOCASE NOT NULL ,
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[Offset] [int] NOT NULL
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);
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CREATE TABLE [EnzymesCleavageSpecificities] (
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[EnzymeID] [int] NOT NULL ,
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[Specificity] [int] NOT NULL ,
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PRIMARY KEY (EnzymeID, Specificity)
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);
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CREATE TABLE [EventAnnotations] (
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[EventID] INTEGER PRIMARY KEY NOT NULL,
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[Charge] [smallint] NOT NULL,
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[IsotopePatternID] [int] NOT NULL,
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[QuanResultID] [int] NOT NULL,
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[QuanChannelID] [int] NOT NULL
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);
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CREATE TABLE [EventAreaAnnotations] (
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[EventID] INTEGER PRIMARY KEY NOT NULL,
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[Charge] [smallint] NOT NULL,
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[IsotopePatternID] [int] NOT NULL,
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[QuanResultID] [int] NOT NULL
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);
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CREATE TABLE [Events] (
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[EventID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
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[Mass] [double] NOT NULL,
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[MassAvg] [double] NOT NULL,
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[Area] [float] NOT NULL,
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[Intensity] [float] NOT NULL,
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[PeakWidth] [float] NOT NULL,
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[RT] [double] NOT NULL,
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[LeftRT] [float] NOT NULL,
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[RightRT] [float] NOT NULL,
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[SN][float] DEFAULT 0.0 NOT NULL,
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[FileID] [int] NOT NULL
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);
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CREATE TABLE [FastaFiles] (
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[FastaFileID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL ,
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[FileName] [varchar] (256) UNIQUE COLLATE NOCASE NOT NULL ,
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[State] [int] NOT NULL ,
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[VirtualFileName] [varchar] (256) COLLATE NOCASE NOT NULL ,
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[FileSize] [bigint] NOT NULL ,
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[FileTime] [bigint] NOT NULL ,
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[NumberOfProteins] [bigint] NULL ,
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[NumberOfAminoAcids] [bigint] NULL ,
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[FileHashCode] [bigint] NULL ,
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[Hidden] [bit] NOT NULL ,
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[IsSrfImport] [bit] NOT NULL ,
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[IsScheduledForDeletion] [bit] DEFAULT 0 NOT NULL
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);
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CREATE TABLE [FastaFilesProteinAnnotations] (
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[FastaFileID] [int] NOT NULL ,
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[ProteinAnnotationID] [int] NOT NULL ,
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PRIMARY KEY (
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[FastaFileID],
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[ProteinAnnotationID]
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)
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);
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CREATE TABLE [FileInfos] (
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[FileID] [int] PRIMARY KEY NOT NULL ,
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[FileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
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[FileTime] [datetime] NOT NULL ,
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[FileSize] [bigint] NOT NULL ,
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[PhysicalFileName] [varchar] (2048) COLLATE NOCASE NOT NULL ,
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[FileType] [smallint] NOT NULL
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);
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CREATE TABLE [MassPeakRelations] (
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[MassPeakID] [int] NOT NULL,
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[RelatedMassPeakID] [int] NOT NULL,
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PRIMARY KEY (
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[MassPeakID],
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[RelatedMassPeakID]
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)
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);
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CREATE TABLE [MassPeaks] (
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[MassPeakID] INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
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[Charge] [smallint] NULL ,
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[Intensity] [double] NULL ,
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[Mass] [double] NULL ,
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[ScanNumbers] [varchar](1000) NULL,
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[FileID] [int] NULL,
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[PercentIsolationInterference] [float] NULL,
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[IonInjectTime] [int] NULL,
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UNIQUE(
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[Charge],
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275
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[Mass],
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276
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[ScanNumbers],
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[FileID]
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)
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);
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CREATE TABLE [PeptideScores] (
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+
[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
|
+
);
|