diff --git a/resources/schemas/dbscripts/postgresql/targetedms-0.000-23.000.sql b/resources/schemas/dbscripts/postgresql/targetedms-0.000-24.000.sql similarity index 98% rename from resources/schemas/dbscripts/postgresql/targetedms-0.000-23.000.sql rename to resources/schemas/dbscripts/postgresql/targetedms-0.000-24.000.sql index d1946c0e7..34779ed27 100644 --- a/resources/schemas/dbscripts/postgresql/targetedms-0.000-23.000.sql +++ b/resources/schemas/dbscripts/postgresql/targetedms-0.000-24.000.sql @@ -14,8 +14,6 @@ * limitations under the License. */ -/* targetedms-0.00-12.20.sql */ - CREATE SCHEMA targetedms; -- iRTScale table to store iRT scale information @@ -148,8 +146,6 @@ CREATE TABLE targetedms.IsotopeEnrichment ); CREATE INDEX IX_IsotopeEnrichment_RunId ON targetedms.IsotopeEnrichment (RunId); - - -- ---------------------------------------------------------------------------- -- Peptide Settings -- ---------------------------------------------------------------------------- @@ -170,8 +166,6 @@ CREATE TABLE targetedms.RetentionTimePredictionSettings CONSTRAINT FK_RetentionTimePredictionSettings_Runs FOREIGN KEY (RunId) REFERENCES targetedms.Runs(Id) ); - - -- ---------------------------------------------------------------------------- -- Instrument, Replicate and SampleFile -- ---------------------------------------------------------------------------- @@ -313,7 +307,6 @@ CREATE TABLE targetedms.PeptideChromInfo CREATE INDEX IX_PeptideChromInfo_PeptideId ON targetedms.PeptideChromInfo(PeptideId); CREATE INDEX IX_PeptideChromInfo_SampleFileId ON targetedms.PeptideChromInfo(SampleFileId); - -- ---------------------------------------------------------------------------- -- Precursor -- ---------------------------------------------------------------------------- @@ -576,7 +569,6 @@ CREATE TABLE targetedms.RunIsotopeModification CREATE INDEX IX_RunIsotopeModification_RunId ON targetedms.RunIsotopeModification (RunId); CREATE INDEX IX_RunIsotopeModification_IsotopeLabelId ON targetedms.RunIsotopeModification (IsotopeLabelId); - -- ---------------------------------------------------------------------------- -- Peptide Modifications -- ---------------------------------------------------------------------------- @@ -610,8 +602,6 @@ CREATE TABLE targetedms.PeptideIsotopeModification CREATE INDEX IX_PeptideIsotopeModification_PeptideId ON targetedms.PeptideIsotopeModification (PeptideId); CREATE INDEX IX_PeptideIsotopeModification_IsotopeModId ON targetedms.PeptideIsotopeModification (IsotopeModId); - - -- ---------------------------------------------------------------------------- -- Peak Area Ratios -- ---------------------------------------------------------------------------- @@ -675,8 +665,6 @@ CREATE INDEX IX_PeptideAreaRatio_PeptideChromInfoStdId ON targetedms.PeptideArea CREATE INDEX IX_PeptideAreaRatio_IsotopeLabelId ON targetedms.PeptideAreaRatio (IsotopeLabelId); CREATE INDEX IX_PeptideAreaRatio_IsotopeLabelStdId ON targetedms.PeptideAreaRatio (IsotopeLabelStdId); - - -- ---------------------------------------------------------------------------- -- Spectrum Libraries -- ---------------------------------------------------------------------------- @@ -720,8 +708,6 @@ CREATE TABLE targetedms.SpectrumLibrary CREATE INDEX IX_SpectrumLibrary_RunId ON targetedms.SpectrumLibrary (RunId); CREATE INDEX IX_SpectrumLibrary_LibrarySourceId ON targetedms.SpectrumLibrary (LibrarySourceId); - - -- ---------------------------------------------------------------------------- -- Transition related tables -- ---------------------------------------------------------------------------- @@ -858,8 +844,6 @@ CREATE TABLE targetedms.PredictorSettings CONSTRAINT FK_PredictorSettings_PredictorId FOREIGN KEY (PredictorId) REFERENCES targetedms.Predictor(Id) ); -/* targetedms-12.20-12.30.sql */ - CREATE TABLE targetedms.ReplicateAnnotation ( Id SERIAL NOT NULL, @@ -872,7 +856,6 @@ CREATE TABLE targetedms.ReplicateAnnotation CONSTRAINT UQ_ReplicateAnnotation_Name_Repicate UNIQUE (Name, ReplicateId) ); - -- AnnotationSettings table to store annotation settings. -- Name: Name of the annotation -- Targets: Comma-separated list of one or more of protein, peptide, precursor, transition, replicate, precursor_result, transition_result @@ -890,8 +873,6 @@ CREATE TABLE targetedms.AnnotationSettings ); CREATE INDEX IX_AnnotationSettings_RunId ON targetedms.AnnotationSettings (RunId); -/* targetedms-12.30-13.10.sql */ - -- Add indices on annotation tables to speed up deletes CREATE INDEX IX_PrecursorChromInfoAnnotation_PrecursorChromInfoId ON targetedms.PrecursorChromInfoAnnotation(PrecursorChromInfoId); @@ -905,9 +886,6 @@ CREATE INDEX IX_PeptideGroupAnnotation_PeptideGroupId ON targetedms.PeptideGroup CREATE INDEX IX_TransitionAnnotation_TransitionId ON targetedms.TransitionAnnotation(TransitionId); -/* targetedms-13.10-13.20.sql */ - - -- iRTPeptide table to store iRT peptide information. -- ModifiedSequence: the optionally chemically modified peptide sequence CREATE TABLE targetedms.iRTPeptide @@ -960,8 +938,6 @@ CREATE INDEX IX_ExperimentAnnotations_ExperimentId ON targetedms.ExperimentAnnot ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_Experiment FOREIGN KEY (ExperimentId) REFERENCES exp.Experiment(RowId); ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_Container FOREIGN KEY (Container) REFERENCES core.Containers(EntityId); -/* targetedms-14.10-14.20.sql */ - CREATE TABLE targetedms.IsolationScheme ( Id SERIAL NOT NULL, @@ -1004,7 +980,6 @@ CREATE INDEX IX_RunEnzyme_RunId ON targetedms.RunEnzyme(RunId); CREATE INDEX IX_SampleFile_InstrumentId ON targetedms.SampleFile(InstrumentId); - -- Add ion mobility settings tables CREATE TABLE targetedms.DriftTimePredictionSettings ( @@ -1034,8 +1009,6 @@ CREATE TABLE targetedms.MeasuredDriftTime ); CREATE INDEX IX_MeasuredDriftTime_DriftTimePredictionSettingsId ON targetedms.MeasuredDriftTime(DriftTimePredictionSettingsId); -/* targetedms-14.20-14.30.sql */ - CREATE TABLE targetedms.Journal ( _ts TIMESTAMP, @@ -1079,9 +1052,6 @@ CREATE TABLE targetedms.JournalExperiment CREATE INDEX IX_JournalExperiment_ShortAccessURL ON targetedms.JournalExperiment(ShortAccessURL); CREATE INDEX IX_JournalExperiment_ShortCopyURL ON targetedms.JournalExperiment(ShortCopyURL); - -/* targetedms-14.30-15.10.sql */ - CREATE TABLE targetedms.QCAnnotationType ( Id SERIAL NOT NULL, @@ -1147,8 +1117,6 @@ CREATE TABLE targetedms.MoleculeTransition ( CONSTRAINT FK_MoleculeTransition_Transition FOREIGN KEY (TransitionId) REFERENCES targetedms.Transition(Id) ); -/* targetedms-15.10-15.20.sql */ - CREATE TABLE targetedms.GuideSet ( RowId SERIAL NOT NULL, @@ -1164,8 +1132,6 @@ CREATE TABLE targetedms.GuideSet CONSTRAINT PK_GuideSet PRIMARY KEY (RowId) ); -/* targetedms-15.30-16.10.sql */ - CREATE TABLE targetedms.AutoQCPing ( CreatedBy USERID, Created TIMESTAMP, @@ -1443,8 +1409,6 @@ ALTER TABLE targetedms.Precursor ALTER COLUMN ModifiedSequence TYPE VARCHAR(300) UPDATE targetedms.Peptide SET Sequence='' WHERE Sequence IS NULL; ALTER TABLE targetedms.Peptide ALTER COLUMN Sequence SET NOT NULL; -/* targetedms-16.10-16.20.sql */ - /* The run related count values are now calculated by the server in TargetedMSSchema.getTargetedMSRunsTable */ ALTER TABLE targetedms.Runs DROP COLUMN PeptideGroupCount; ALTER TABLE targetedms.Runs DROP COLUMN PeptideCount; @@ -1469,8 +1433,6 @@ ALTER TABLE targetedms.Precursor ALTER COLUMN NeutralMass TYPE DOUBLE PRECISION; -- Example: K[+96.2]VN[-17]K[+34.1]TES[+80]K[+62.1] -> K[+96.2]VN[-17.0]K[+34.1]TES[+80.0]K[+62.1] UPDATE targetedms.precursor SET ModifiedSequence = (REGEXP_REPLACE(ModifiedSequence, '(\[[+-]\d+)\]', '\1.0]', 'g')); -/* targetedms-16.20-16.30.sql */ - CREATE TABLE targetedms.QCMetricConfiguration ( Id SERIAL NOT NULL, @@ -1495,7 +1457,6 @@ CREATE TABLE targetedms.QCMetricConfiguration WITH rootIdentity as (select EntityId as theIdentity FROM core.Containers WHERE Parent is null) - INSERT INTO targetedms.QCMetricConfiguration (Container, Name,Series1Label,Series1SchemaName,Series1QueryName,Series2Label,Series2SchemaName,Series2QueryName) VALUES ((select theIdentity from rootIdentity), 'Retention Time','Retention Time','targetedms','QCMetric_retentionTime',NULL , NULL , NULL ), ((select theIdentity from rootIdentity), 'Peak Area','Peak Area','targetedms','QCMetric_peakArea',NULL , NULL , NULL ), @@ -1537,8 +1498,6 @@ ALTER TABLE targetedms.precursorchrominfo ALTER COLUMN container SET NOT NULL; CREATE INDEX idx_precursorchrominfo_container ON targetedms.precursorchrominfo (container, id); -/* targetedms-16.30-17.10.sql */ - -- Remove all replicates not associated with a sample file. DELETE FROM targetedms.replicateAnnotation WHERE replicateId IN (SELECT r.id FROM targetedms.replicate r LEFT OUTER JOIN targetedms.sampleFile sf ON(r.Id = sf.ReplicateId) WHERE sf.ReplicateId IS NULL); DELETE FROM targetedms.replicate WHERE id IN (SELECT r.id FROM targetedms.replicate r LEFT OUTER JOIN targetedms.sampleFile sf ON(r.Id = sf.ReplicateId) WHERE sf.ReplicateId IS NULL); @@ -1658,8 +1617,6 @@ FROM targetedms.samplefile sf WHERE pci.sampleFileId = sf.id AND pci.container != r.container; -/* targetedms-17.10-17.20.sql */ - ALTER TABLE targetedms.PrecursorChromInfo ADD COLUMN ChromatogramFormat INT; CREATE TABLE targetedms.QCMetricExclusion @@ -1690,19 +1647,13 @@ ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT UQ_ExperimentAnnotat ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_ShortUrl FOREIGN KEY (shorturl) REFERENCES core.shorturl (entityId); -/* targetedms-17.20-17.30.sql */ - ALTER TABLE targetedms.Runs ADD COLUMN ReplicateCount INT; UPDATE targetedms.Runs SET ReplicateCount = (SELECT COUNT(r.id) FROM targetedms.Replicate r WHERE r.RunId = targetedms.Runs.Id); ALTER TABLE targetedms.TransitionChromInfo ADD COLUMN PointsAcrossPeak INT; -/* targetedms-17.30-18.10.sql */ - ALTER TABLE targetedms.ReplicateAnnotation ALTER COLUMN Value TYPE VARCHAR(500); -/* targetedms-18.10-18.20.sql */ - ALTER TABLE targetedms.Runs ADD COLUMN SkydDataId INT; ALTER TABLE targetedms.Runs ADD CONSTRAINT FK_Runs_SkydData FOREIGN KEY (SkydDataId) REFERENCES exp.Data(RowId); @@ -1733,13 +1684,9 @@ ALTER TABLE targetedms.JournalExperiment ADD COLUMN KeepPrivate BOOLEAN NOT NULL ALTER TABLE targetedms.spectrumlibrary ALTER COLUMN Name TYPE VARCHAR(400); -/* targetedms-18.20-18.30.sql */ - ALTER TABLE targetedms.experimentannotations ALTER COLUMN Organism TYPE VARCHAR(300); ALTER TABLE targetedms.Replicate ADD COLUMN SampleDilutionFactor DOUBLE PRECISION; -/* targetedms-18.30-19.10.sql */ - UPDATE exp.data a set sourceapplicationid = (SELECT d.sourceapplicationid from exp.data d where d.runid = a.runid AND d.name LIKE '%.zip') WHERE a.sourceapplicationid IS NULL AND a.runid IS NOT NULL AND a.name LIKE '%.skyd'; @@ -1749,8 +1696,6 @@ ALTER TABLE targetedms.runs ADD COLUMN DocumentSize BIGINT; ALTER TABLE targetedms.precursorchrominfo ADD COLUMN qvalue REAL; ALTER TABLE targetedms.precursorchrominfo ADD COLUMN zscore REAL; -/* targetedms-19.10-19.20.sql */ - CREATE TABLE targetedms.QCEnabledMetrics ( metric INT, @@ -1834,8 +1779,6 @@ UPDATE targetedms.qcmetricconfiguration SET name='Transition & Precursor Areas' ALTER TABLE targetedms.qcmetricconfiguration ADD COLUMN PrecursorScoped BOOLEAN NOT NULL DEFAULT TRUE; -DROP TABLE IF EXISTS targetedms.QCEmailNotifications; - -- Increase the length of the Gene column. The gene field can contain all possible gene names that a protein product is associated with. This can get really long. ALTER TABLE targetedms.PeptideGroup ALTER COLUMN gene TYPE VARCHAR(2000); @@ -1855,14 +1798,11 @@ ALTER TABLE targetedms.MeasuredDriftTime ADD HighEnergyIonMobilityOffset DOUBLE -- From Brian Pratt about the ion_mobility_units field: Worst case is 23 characters, for Bruker: inverse_K0_Vsec_per_cm2 ALTER TABLE targetedms.MeasuredDriftTime ADD IonMobilityUnits VARCHAR(30); -/* targetedms-19.20-19.30.sql */ - ALTER TABLE targetedms.Runs ADD COLUMN AuditLogEntriesCount INT4 DEFAULT 0 NOT NULL; WITH rootIdentity as (select EntityId as theIdentity FROM core.Containers WHERE Parent is null) - -INSERT INTO targetedms.QCMetricConfiguration (Container, Name,Series1Label,Series1SchemaName,Series1QueryName,Series2Label,Series2SchemaName,Series2QueryName,PrecursorScoped) VALUES -((select theIdentity from rootIdentity), 'TIC Area','TIC Area','targetedms','QCRunMetric_ticArea',NULL , NULL , NULL , FALSE ); + INSERT INTO targetedms.QCMetricConfiguration (Container, Name,Series1Label,Series1SchemaName,Series1QueryName,Series2Label,Series2SchemaName,Series2QueryName,PrecursorScoped) VALUES + ((select theIdentity from rootIdentity), 'TIC Area','TIC Area','targetedms','QCRunMetric_ticArea',NULL , NULL , NULL , FALSE ); ALTER TABLE targetedms.SampleFile ADD COLUMN TicArea DOUBLE PRECISION; @@ -1883,6 +1823,7 @@ CREATE TABLE targetedms.ListDefinition CONSTRAINT PK_List PRIMARY KEY(Id), CONSTRAINT FK_List_RunId FOREIGN KEY(RunId) REFERENCES targetedms.Runs(Id) ); + CREATE TABLE targetedms.ListColumnDefinition ( Id SERIAL NOT NULL, @@ -1945,20 +1886,20 @@ ALTER TABLE targetedms.AnnotationSettings ADD COLUMN Lookup TEXT; CREATE TABLE targetedms.SampleFileChromInfo ( - Id serial NOT NULL, - SampleFileId integer NOT NULL, - StartTime real, - EndTime real, - TextId VARCHAR(512), - NumPoints integer, - UncompressedSize integer, - Container entityid NOT NULL, - ChromatogramFormat integer, - ChromatogramOffset bigint, - ChromatogramLength integer, - CONSTRAINT PK_SampleFileChromInfo PRIMARY KEY (Id), - CONSTRAINT FK_SampleFileChromInfo_SampleFile FOREIGN KEY (SampleFileId) - REFERENCES targetedms.SampleFile(Id) + Id serial NOT NULL, + SampleFileId integer NOT NULL, + StartTime real, + EndTime real, + TextId VARCHAR(512), + NumPoints integer, + UncompressedSize integer, + Container entityid NOT NULL, + ChromatogramFormat integer, + ChromatogramOffset bigint, + ChromatogramLength integer, + CONSTRAINT PK_SampleFileChromInfo PRIMARY KEY (Id), + CONSTRAINT FK_SampleFileChromInfo_SampleFile FOREIGN KEY (SampleFileId) + REFERENCES targetedms.SampleFile(Id) ); CREATE INDEX IDX_SampleFileChromInfo_Container ON targetedms.SampleFileChromInfo(container); @@ -1990,10 +1931,10 @@ ALTER TABLE targetedms.GeneralPrecursor DROP COLUMN Modified; --** changes to GeneralTransition **-- ALTER TABLE targetedms.GeneralTransition ADD COLUMN Rank INT ; UPDATE targetedms.GeneralTransition gt -SET Rank = (SELECT libraryRank FROM targetedms.Transition t WHERE t.id = gt.id); + SET Rank = (SELECT libraryRank FROM targetedms.Transition t WHERE t.id = gt.id); ALTER TABLE targetedms.GeneralTransition ADD COLUMN Intensity DOUBLE PRECISION ; UPDATE targetedms.GeneralTransition gt -SET Intensity = (SELECT libraryIntensity FROM targetedms.Transition t WHERE t.id = gt.id); + SET Intensity = (SELECT libraryIntensity FROM targetedms.Transition t WHERE t.id = gt.id); ALTER TABLE targetedms.GeneralTransition ADD COLUMN Quantitative BOOLEAN; ALTER TABLE targetedms.GeneralTransition ADD COLUMN CollisionEnergy DOUBLE PRECISION; ALTER TABLE targetedms.GeneralTransition ADD COLUMN DeclusteringPotential DOUBLE PRECISION; @@ -2123,11 +2064,9 @@ CREATE INDEX IX_SpectrastLibInfo_PrecursorId ON targetedms.SpectrastLibInfo(Prec CREATE INDEX IX_SpectrastLibInfo_SpectrumLibraryId ON targetedms.SpectrastLibInfo(SpectrumLibraryId); INSERT INTO targetedms.SpectrastLibInfo (PrecursorId, SpectrumLibraryId, CountMeasured, TotalIntensity, TFRatio) -SELECT PrecursorId, SpectrumLibraryId, Score1, Score2, Score3 -FROM targetedms.PrecursorLibInfo pli -INNER JOIN targetedms.SpectrumLibrary sl ON (sl.id = pli.SpectrumLibraryId AND sl.libraryType='spectrast') ; - - + SELECT PrecursorId, SpectrumLibraryId, Score1, Score2, Score3 + FROM targetedms.PrecursorLibInfo pli + INNER JOIN targetedms.SpectrumLibrary sl ON (sl.id = pli.SpectrumLibraryId AND sl.libraryType='spectrast') ; CREATE TABLE targetedms.ChromatogramLibInfo ( @@ -2155,12 +2094,11 @@ INSERT INTO targetedms.IsotopeLabel (RunId, Name, Standard) WHERE gp.IsotopeLabelId IS NULL; -UPDATE targetedms.GeneralPrecursor SET IsotopeLabelId = (SELECT il.Id FROM - targetedms.IsotopeLabel il - INNER JOIN targetedms.PeptideGroup pg ON pg.RunId = il.RunId AND il.Name = 'Unknown' AND il.Standard = TRUE - INNER JOIN targetedms.GeneralMolecule gm ON gm.PeptideGroupId = pg.Id AND gm.Id = GeneralPrecursor.GeneralMoleculeId -) -WHERE IsotopeLabelId IS NULL; +UPDATE targetedms.GeneralPrecursor SET IsotopeLabelId = (SELECT il.Id FROM targetedms.IsotopeLabel il + INNER JOIN targetedms.PeptideGroup pg ON pg.RunId = il.RunId AND il.Name = 'Unknown' AND il.Standard = TRUE + INNER JOIN targetedms.GeneralMolecule gm ON gm.PeptideGroupId = pg.Id AND gm.Id = GeneralPrecursor.GeneralMoleculeId + ) + WHERE IsotopeLabelId IS NULL; ALTER TABLE targetedms.GeneralPrecursor ALTER COLUMN IsotopeLabelId SET NOT NULL; @@ -2291,7 +2229,6 @@ CREATE TABLE targetedms.keywords ( CONSTRAINT keywords_keywordid_key UNIQUE (keywordid) ); - INSERT INTO targetedms.keywordcategories VALUES (1, 'KW-9999', 'Biological process'); INSERT INTO targetedms.keywordcategories VALUES (2, 'KW-9998', 'Cellular component'); INSERT INTO targetedms.keywordcategories VALUES (3, 'KW-9997', 'Coding sequence diversity'); @@ -2303,9 +2240,6 @@ INSERT INTO targetedms.keywordcategories VALUES (8, 'KW-9992', 'Molecular functi INSERT INTO targetedms.keywordcategories VALUES (9, 'KW-9991', 'PTM'); INSERT INTO targetedms.keywordcategories VALUES (10, 'KW-9990', 'Technical term'); - - - INSERT INTO targetedms.keywords VALUES ( DEFAULT, 'KW-0001', '2Fe-2S', 'KW-9993'); INSERT INTO targetedms.keywords VALUES ( DEFAULT, 'KW-0002', '3D-structure', 'KW-9990'); INSERT INTO targetedms.keywords VALUES ( DEFAULT, 'KW-0003', '3Fe-4S', 'KW-9993'); @@ -3867,8 +3801,6 @@ ALTER TABLE targetedms.PrecursorChromInfo ADD COLUMN TransitionChromatogramIndic ALTER TABLE targetedms.PrecursorChromInfo ADD COLUMN BestMassErrorPPM Real; -/* 21.xxx SQL scripts */ - UPDATE targetedms.transitionpredictionsettings SET CePredictorId = NULL WHERE CePredictorId NOT IN (SELECT Id FROM targetedms.Predictor); UPDATE targetedms.transitionpredictionsettings SET DpPredictorId = NULL WHERE DpPredictorId NOT IN (SELECT Id FROM targetedms.Predictor); @@ -4043,8 +3975,6 @@ ALTER TABLE targetedms.PrecursorChromInfo ADD COLUMN TotalAreaMs1 REAL, ADD COLUMN TotalAreaFragment REAL; -/* 22.xxx SQL scripts */ - ALTER TABLE targetedms.SampleFileChromInfo ADD COLUMN Flags INT; @@ -4204,4 +4134,24 @@ ALTER TABLE targetedms.Protein ADD CONSTRAINT FK_Protein_PeptideGroup FOREIGN KE ALTER TABLE targetedms.Protein ADD CONSTRAINT FK_Protein_Sequences FOREIGN KEY(SequenceId) REFERENCES prot.Sequences (seqid); ALTER TABLE targetedms.AuditLogMessage - DROP COLUMN ExpandedText; \ No newline at end of file + DROP COLUMN ExpandedText; + +DELETE FROM targetedms.ReplicateAnnotation WHERE source = 'User'; +ALTER TABLE targetedms.ReplicateAnnotation DROP COLUMN source; + +ALTER TABLE targetedms.QCAnnotation ADD COLUMN EndDate TIMESTAMP; + +-- Poke a new row annotation type into the /Shared project +SELECT core.executeJavaInitializationCode('addInstrumentDowntimeAnnotationType'); + +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition/Precursor Area Ratio'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition & Precursor Areas'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Total Peak Area (Precursor + Transition)'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorArea', EnabledSchemaName = 'targetedms' WHERE Name = 'Precursor Area'; + +ALTER TABLE targetedms.molecule ALTER COLUMN customionname TYPE TEXT; +ALTER TABLE targetedms.moleculeprecursor ALTER COLUMN customionname TYPE TEXT; +ALTER TABLE targetedms.moleculetransition ALTER COLUMN customionname TYPE TEXT; +ALTER TABLE targetedms.excludedprecursors ALTER COLUMN customionname TYPE TEXT; + +ALTER TABLE targetedms.AutoQCPing ADD COLUMN SoftwareVersion VARCHAR(100); diff --git a/resources/schemas/dbscripts/postgresql/targetedms-23.000-23.001.sql b/resources/schemas/dbscripts/postgresql/targetedms-23.000-23.001.sql deleted file mode 100644 index a3d384f8c..000000000 --- a/resources/schemas/dbscripts/postgresql/targetedms-23.000-23.001.sql +++ /dev/null @@ -1,2 +0,0 @@ -DELETE FROM targetedms.ReplicateAnnotation WHERE source = 'User'; -ALTER TABLE targetedms.ReplicateAnnotation DROP COLUMN source; diff --git a/resources/schemas/dbscripts/postgresql/targetedms-23.001-23.002.sql b/resources/schemas/dbscripts/postgresql/targetedms-23.001-23.002.sql deleted file mode 100644 index e101f56eb..000000000 --- a/resources/schemas/dbscripts/postgresql/targetedms-23.001-23.002.sql +++ /dev/null @@ -1,4 +0,0 @@ -ALTER TABLE targetedms.QCAnnotation ADD COLUMN EndDate TIMESTAMP; - --- Poke a new row annotation type into the /Shared project -SELECT core.executeJavaInitializationCode('addInstrumentDowntimeAnnotationType'); diff --git a/resources/schemas/dbscripts/postgresql/targetedms-23.002-23.003.sql b/resources/schemas/dbscripts/postgresql/targetedms-23.002-23.003.sql deleted file mode 100644 index a97f898f8..000000000 --- a/resources/schemas/dbscripts/postgresql/targetedms-23.002-23.003.sql +++ /dev/null @@ -1,4 +0,0 @@ -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition/Precursor Area Ratio'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition & Precursor Areas'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Total Peak Area (Precursor + Transition)'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorArea', EnabledSchemaName = 'targetedms' WHERE Name = 'Precursor Area'; diff --git a/resources/schemas/dbscripts/postgresql/targetedms-23.004-23.005.sql b/resources/schemas/dbscripts/postgresql/targetedms-23.004-23.005.sql deleted file mode 100644 index f5fca8f8f..000000000 --- a/resources/schemas/dbscripts/postgresql/targetedms-23.004-23.005.sql +++ /dev/null @@ -1,4 +0,0 @@ -ALTER TABLE targetedms.molecule ALTER COLUMN customionname TYPE TEXT; -ALTER TABLE targetedms.moleculeprecursor ALTER COLUMN customionname TYPE TEXT; -ALTER TABLE targetedms.moleculetransition ALTER COLUMN customionname TYPE TEXT; -ALTER TABLE targetedms.excludedprecursors ALTER COLUMN customionname TYPE TEXT; \ No newline at end of file diff --git a/resources/schemas/dbscripts/postgresql/targetedms-23.005-23.006.sql b/resources/schemas/dbscripts/postgresql/targetedms-23.005-23.006.sql deleted file mode 100644 index ebbd5fdfa..000000000 --- a/resources/schemas/dbscripts/postgresql/targetedms-23.005-23.006.sql +++ /dev/null @@ -1 +0,0 @@ -ALTER TABLE targetedms.AutoQCPing ADD COLUMN SoftwareVersion VARCHAR(100); \ No newline at end of file diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-0.000-23.000.sql b/resources/schemas/dbscripts/sqlserver/targetedms-0.000-24.000.sql similarity index 99% rename from resources/schemas/dbscripts/sqlserver/targetedms-0.000-23.000.sql rename to resources/schemas/dbscripts/sqlserver/targetedms-0.000-24.000.sql index 0cdc878d0..b68c07796 100644 --- a/resources/schemas/dbscripts/sqlserver/targetedms-0.000-23.000.sql +++ b/resources/schemas/dbscripts/sqlserver/targetedms-0.000-24.000.sql @@ -14,8 +14,6 @@ * limitations under the License. */ -/* targetedms-0.00-12.20.sql */ - CREATE SCHEMA targetedms; GO @@ -858,8 +856,6 @@ CREATE TABLE targetedms.PredictorSettings CONSTRAINT FK_PredictorSettings_PredictorId FOREIGN KEY (PredictorId) REFERENCES targetedms.Predictor(Id) ); -/* targetedms-12.20-12.30.sql */ - CREATE TABLE targetedms.ReplicateAnnotation ( Id INT IDENTITY(1, 1) NOT NULL, @@ -872,7 +868,6 @@ CREATE TABLE targetedms.ReplicateAnnotation CONSTRAINT UQ_ReplicateAnnotation_Name_Repicate UNIQUE (Name, ReplicateId) ); - -- AnnotationSettings table to store annotation settings. -- Name: Name of the annotation -- Targets: Comma-separated list of one or more of protein, peptide, precursor, transition, replicate, precursor_result, transition_result @@ -890,8 +885,6 @@ CREATE TABLE targetedms.AnnotationSettings ); CREATE INDEX IX_AnnotationSettings_RunId ON targetedms.AnnotationSettings (RunId); -/* targetedms-12.30-13.10.sql */ - -- Add indices on annotation tables to speed up deletes CREATE INDEX IX_PrecursorChromInfoAnnotation_PrecursorChromInfoId ON targetedms.PrecursorChromInfoAnnotation(PrecursorChromInfoId); @@ -905,9 +898,6 @@ CREATE INDEX IX_PeptideGroupAnnotation_PeptideGroupId ON targetedms.PeptideGroup CREATE INDEX IX_TransitionAnnotation_TransitionId ON targetedms.TransitionAnnotation(TransitionId); -/* targetedms-13.10-13.20.sql */ - - -- iRTPeptide table to store iRT peptide information. -- ModifiedSequence: the optionally chemically modified peptide sequence CREATE TABLE targetedms.iRTPeptide @@ -960,8 +950,6 @@ CREATE INDEX IX_ExperimentAnnotations_ExperimentId ON targetedms.ExperimentAnnot ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_Experiment FOREIGN KEY (ExperimentId) REFERENCES exp.Experiment(RowId); ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_Container FOREIGN KEY (Container) REFERENCES core.Containers(EntityId); -/* targetedms-14.10-14.20.sql */ - CREATE TABLE targetedms.IsolationScheme ( Id INT IDENTITY(1, 1) NOT NULL, @@ -1034,8 +1022,6 @@ CREATE TABLE targetedms.MeasuredDriftTime ); CREATE INDEX IX_MeasuredDriftTime_DriftTimePredictionSettingsId ON targetedms.MeasuredDriftTime(DriftTimePredictionSettingsId); -/* targetedms-14.20-14.30.sql */ - CREATE TABLE targetedms.Journal ( _ts TIMESTAMP, @@ -1079,9 +1065,6 @@ CREATE TABLE targetedms.JournalExperiment CREATE INDEX IX_JournalExperiment_ShortAccessURL ON targetedms.JournalExperiment(ShortAccessURL); CREATE INDEX IX_JournalExperiment_ShortCopyURL ON targetedms.JournalExperiment(ShortCopyURL); - -/* targetedms-14.30-15.10.sql */ - CREATE TABLE targetedms.QCAnnotationType ( Id INT IDENTITY(1, 1) NOT NULL, @@ -1147,8 +1130,6 @@ CREATE TABLE targetedms.MoleculeTransition ( CONSTRAINT FK_MoleculeTransition_Transition FOREIGN KEY (TransitionId) REFERENCES targetedms.Transition(Id) ); -/* targetedms-15.10-15.20.sql */ - CREATE TABLE targetedms.GuideSet ( RowId INT IDENTITY(1, 1) NOT NULL, @@ -1164,8 +1145,6 @@ CREATE TABLE targetedms.GuideSet CONSTRAINT PK_GuideSet PRIMARY KEY (RowId) ); -/* targetedms-15.30-16.10.sql */ - CREATE TABLE targetedms.AutoQCPing ( CreatedBy USERID, Created DATETIME, @@ -1570,8 +1549,6 @@ GO CREATE INDEX IX_Peptide_Sequence ON targetedms.Peptide (Sequence); GO -/* targetedms-16.10-16.20.sql */ - /* The run related count values are now calculated by the server in TargetedMSSchema.getTargetedMSRunsTable */ --EXEC core.fn_dropifexists 'Runs', 'targetedms', 'DEFAULT', 'PeptideGroupCount'; --ALTER TABLE targetedms.Runs DROP COLUMN PeptideGroupCount; @@ -1602,8 +1579,6 @@ ALTER TABLE targetedms.Precursor ALTER COLUMN NeutralMass FLOAT; -- Note: invocation of Java upgrade code 'updatePrecursorModifiedSequence' has been removed, since we don't upgrade pre-16.2 installations any more -/* targetedms-16.20-16.30.sql */ - CREATE TABLE targetedms.QCMetricConfiguration ( Id INT IDENTITY(1, 1) NOT NULL, @@ -1673,8 +1648,6 @@ CREATE INDEX idx_precursorchrominfo_container ON targetedms.precursorchrominfo ( GO -/* targetedms-16.30-17.10.sql */ - -- Remove all replicates not associated with a sample file. DELETE FROM targetedms.replicateAnnotation WHERE replicateId IN (SELECT r.id FROM targetedms.replicate r LEFT OUTER JOIN targetedms.sampleFile sf ON(r.Id = sf.ReplicateId) WHERE sf.ReplicateId IS NULL); DELETE FROM targetedms.replicate WHERE id IN (SELECT r.id FROM targetedms.replicate r LEFT OUTER JOIN targetedms.sampleFile sf ON(r.Id = sf.ReplicateId) WHERE sf.ReplicateId IS NULL); @@ -1798,8 +1771,6 @@ FROM targetedms.samplefile sf WHERE sampleFileId = sf.id AND targetedms.precursorchrominfo.container != r.container; -/* targetedms-17.10-17.20.sql */ - ALTER TABLE targetedms.PrecursorChromInfo ADD ChromatogramFormat INT; CREATE TABLE targetedms.QCMetricExclusion @@ -1830,8 +1801,6 @@ ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT UQ_ExperimentAnnotat ALTER TABLE targetedms.ExperimentAnnotations ADD CONSTRAINT FK_ExperimentAnnotations_ShortUrl FOREIGN KEY (shorturl) REFERENCES core.shorturl (entityId); -/* targetedms-17.20-17.30.sql */ - ALTER TABLE targetedms.Runs ADD ReplicateCount INT; GO @@ -1840,12 +1809,8 @@ UPDATE targetedms.Runs SET ReplicateCount = (SELECT COUNT(r.id) FROM targetedms. ALTER TABLE targetedms.TransitionChromInfo ADD PointsAcrossPeak INT; -/* targetedms-17.30-18.10.sql */ - ALTER TABLE targetedms.ReplicateAnnotation ALTER COLUMN Value NVARCHAR(500); -/* targetedms-18.10-18.20.sql */ - ALTER TABLE targetedms.Runs ADD SkydDataId INT; ALTER TABLE targetedms.Runs ADD CONSTRAINT FK_Runs_SkydData FOREIGN KEY (SkydDataId) REFERENCES exp.Data(RowId); @@ -1882,13 +1847,9 @@ ALTER TABLE targetedms.JournalExperiment ADD KeepPrivate BIT NOT NULL DEFAULT '1 ALTER TABLE targetedms.spectrumlibrary ALTER COLUMN Name NVARCHAR(400); GO -/* targetedms-18.20-18.30.sql */ - ALTER TABLE targetedms.experimentannotations ALTER COLUMN Organism NVARCHAR(300); ALTER TABLE targetedms.Replicate ADD SampleDilutionFactor DOUBLE PRECISION; -/* targetedms-18.30-19.10.sql */ - UPDATE a set a.sourceapplicationid = (SELECT d.sourceapplicationid from exp.data d where d.runid = a.runid AND d.name LIKE '%.zip') FROM exp.data AS a WHERE a.sourceapplicationid IS NULL AND a.runid IS NOT NULL AND a.name LIKE '%.skyd'; @@ -1899,8 +1860,6 @@ ALTER TABLE targetedms.runs ADD DocumentSize BIGINT; ALTER TABLE targetedms.precursorchrominfo ADD qvalue REAL; ALTER TABLE targetedms.precursorchrominfo ADD zscore REAL; -/* targetedms-19.10-19.20.sql */ - CREATE TABLE targetedms.QCEnabledMetrics ( metric INTEGER, @@ -1989,8 +1948,6 @@ ALTER TABLE targetedms.MeasuredDriftTime ADD HighEnergyIonMobilityOffset DOUBLE -- From Brian Pratt about the ion_mobility_units field: Worst case is 23 characters, for Bruker: inverse_K0_Vsec_per_cm2 ALTER TABLE targetedms.MeasuredDriftTime ADD IonMobilityUnits NVARCHAR(30); -/* targetedms-19.20-19.30.sql */ - ALTER TABLE targetedms.Runs ADD AuditLogEntriesCount INT DEFAULT 0 NOT NULL; declare @rootIdentity ENTITYID; @@ -5010,8 +4967,6 @@ ALTER TABLE targetedms.PrecursorChromInfo ADD TransitionChromatogramIndices IMAG ALTER TABLE targetedms.PrecursorChromInfo ADD BestMassErrorPPM Real; -/* 21.xxx SQL scripts */ - UPDATE targetedms.transitionpredictionsettings SET CePredictorId = NULL WHERE CePredictorId NOT IN (SELECT Id FROM targetedms.Predictor); UPDATE targetedms.transitionpredictionsettings SET DpPredictorId = NULL WHERE DpPredictorId NOT IN (SELECT Id FROM targetedms.Predictor); @@ -5186,8 +5141,6 @@ ALTER TABLE targetedms.PrecursorChromInfo ADD TotalAreaMs1 REAL, TotalAreaFragment REAL; -/* 22.xxx SQL scripts */ - ALTER TABLE targetedms.SampleFileChromInfo ADD Flags INT; @@ -5374,4 +5327,31 @@ ALTER TABLE targetedms.Protein ADD CONSTRAINT FK_Protein_PeptideGroup FOREIGN KE ALTER TABLE targetedms.Protein ADD CONSTRAINT FK_Protein_Sequences FOREIGN KEY(SequenceId) REFERENCES prot.Sequences (seqid); ALTER TABLE targetedms.AuditLogMessage - DROP COLUMN ExpandedText; \ No newline at end of file + DROP COLUMN ExpandedText; + +/* 23.xxx SQL scripts */ + +DELETE FROM targetedms.ReplicateAnnotation WHERE source = 'User'; +ALTER TABLE targetedms.ReplicateAnnotation DROP CONSTRAINT DF_ReplicateAnnotation_Source; +ALTER TABLE targetedms.ReplicateAnnotation DROP COLUMN source; + +ALTER TABLE targetedms.QCAnnotation ADD EndDate DATETIME; + +-- Poke a new row annotation type into the /Shared project +EXEC core.executeJavaInitializationCode 'addInstrumentDowntimeAnnotationType'; + +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition/Precursor Area Ratio'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition & Precursor Areas'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Total Peak Area (Precursor + Transition)'; +UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorArea', EnabledSchemaName = 'targetedms' WHERE Name = 'Precursor Area'; + +UPDATE targetedms.QCAnnotation SET Description = 'None' WHERE Description IS NULL; + +ALTER TABLE targetedms.QCAnnotation ALTER COLUMN Description VARCHAR(MAX) NOT NULL; + +ALTER TABLE targetedms.molecule ALTER COLUMN customionname NVARCHAR(MAX); +ALTER TABLE targetedms.moleculeprecursor ALTER COLUMN customionname NVARCHAR(MAX); +ALTER TABLE targetedms.moleculetransition ALTER COLUMN customionname NVARCHAR(MAX); +ALTER TABLE targetedms.excludedprecursors ALTER COLUMN customionname NVARCHAR(MAX); + +ALTER TABLE targetedms.AutoQCPing ADD SoftwareVersion NVARCHAR(100); \ No newline at end of file diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.000-23.001.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.000-23.001.sql deleted file mode 100644 index a33ff6df9..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.000-23.001.sql +++ /dev/null @@ -1,3 +0,0 @@ -DELETE FROM targetedms.ReplicateAnnotation WHERE source = 'User'; -ALTER TABLE targetedms.ReplicateAnnotation DROP CONSTRAINT DF_ReplicateAnnotation_Source; -ALTER TABLE targetedms.ReplicateAnnotation DROP COLUMN source; diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.001-23.002.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.001-23.002.sql deleted file mode 100644 index ec5e40bfc..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.001-23.002.sql +++ /dev/null @@ -1,4 +0,0 @@ -ALTER TABLE targetedms.QCAnnotation ADD EndDate DATETIME; - --- Poke a new row annotation type into the /Shared project -EXEC core.executeJavaInitializationCode 'addInstrumentDowntimeAnnotationType'; diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.002-23.003.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.002-23.003.sql deleted file mode 100644 index a97f898f8..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.002-23.003.sql +++ /dev/null @@ -1,4 +0,0 @@ -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition/Precursor Area Ratio'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Transition & Precursor Areas'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorAndTransitionAreas', EnabledSchemaName = 'targetedms' WHERE Name = 'Total Peak Area (Precursor + Transition)'; -UPDATE targetedms.QCMetricConfiguration SET EnabledQueryName = 'QCMetricEnabled_precursorArea', EnabledSchemaName = 'targetedms' WHERE Name = 'Precursor Area'; diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.003-23.004.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.003-23.004.sql deleted file mode 100644 index e819efdbd..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.003-23.004.sql +++ /dev/null @@ -1,3 +0,0 @@ -UPDATE targetedms.QCAnnotation SET Description = 'None' WHERE Description IS NULL; - -ALTER TABLE targetedms.QCAnnotation ALTER COLUMN Description VARCHAR(MAX) NOT NULL; \ No newline at end of file diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.004-23.005.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.004-23.005.sql deleted file mode 100644 index b4f3f595c..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.004-23.005.sql +++ /dev/null @@ -1,4 +0,0 @@ -ALTER TABLE targetedms.molecule ALTER COLUMN customionname NVARCHAR(MAX); -ALTER TABLE targetedms.moleculeprecursor ALTER COLUMN customionname NVARCHAR(MAX); -ALTER TABLE targetedms.moleculetransition ALTER COLUMN customionname NVARCHAR(MAX); -ALTER TABLE targetedms.excludedprecursors ALTER COLUMN customionname NVARCHAR(MAX); \ No newline at end of file diff --git a/resources/schemas/dbscripts/sqlserver/targetedms-23.005-23.006.sql b/resources/schemas/dbscripts/sqlserver/targetedms-23.005-23.006.sql deleted file mode 100644 index ab605f8be..000000000 --- a/resources/schemas/dbscripts/sqlserver/targetedms-23.005-23.006.sql +++ /dev/null @@ -1 +0,0 @@ -ALTER TABLE targetedms.AutoQCPing ADD SoftwareVersion NVARCHAR(100); \ No newline at end of file diff --git a/src/org/labkey/targetedms/TargetedMSUpgradeCode.java b/src/org/labkey/targetedms/TargetedMSUpgradeCode.java index c32301693..04e236169 100644 --- a/src/org/labkey/targetedms/TargetedMSUpgradeCode.java +++ b/src/org/labkey/targetedms/TargetedMSUpgradeCode.java @@ -64,7 +64,7 @@ public void populateDefaultAnnotationTypes(final ModuleContext moduleContext) ContainerManager.getSharedContainer().setActiveModules(activeModules); } - // called at 23.000-23.001 to add a new type. Can eventually be consolidated into the bootstrap insert above + // initialization code called at 0.000-24.000 to add a new type. Can eventually be consolidated into the bootstrap insert above @SuppressWarnings({"UnusedDeclaration"}) public void addInstrumentDowntimeAnnotationType(final ModuleContext moduleContext) { @@ -87,6 +87,8 @@ private void insertAnnotationType(String name, String color, User user) new SqlExecutor(TargetedMSManager.getSchema()).execute(sql); } + // initialization code called at 0.000-24.000 + @SuppressWarnings({"UnusedDeclaration"}) @DeferredUpgrade public void recalculateAreaProportions(final ModuleContext moduleContext) {