SQL allowlisted queries

CHANGELOG.md

@@ -1,3 +1,11 @@
+# Samply.Focus v0.8.0 2024-11-04
+
+In this release, we are supporting 4 types of SQL queries for Exliquid and Organoids
+
+## Major changes
+* Allowlist of SQL queries
+
+
 # Samply.Focus v0.7.0 2024-09-24
 
 In this release, we are extending the supported data backends beyond CQL-enabled FHIR stores. We now support PostgreSQL as well. Usage instructions are included in the Readme.

Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "focus"
-version = "0.7.0"
+version = "0.8.0"
 edition = "2021"
 license = "Apache-2.0"
 

resources/sql/EXLIQUID_SAMPLE_3LEVELS

@@ -0,0 +1,43 @@
+/*
+Exliquid query for sites with 'legacy' exliquid specimen documentation (3 level hierarchy versus 'virtual' mother sample).
+For current expected documentation see: https://wiki.verbis.dkfz.de/pages/viewpage.action?pageId=294716167.
+*/
+with t as (
+	select 
+		(s.resource ->> 'id')::text s_id,
+		(s_coding ->> 'code')::text sample_type
+	from specimen s, jsonb_array_elements(s.resource -> 'type' -> 'coding') as s_coding
+	where s_coding ->> 'system' = 'https://fhir.bbmri.de/CodeSystem/SampleMaterialType'
+),
+t2 as (
+	SELECT 
+		s_ali.resource ->> 'id' s_ali_id, 	
+		sample_type_ali.sample_type as s_ali_type,
+		(s_ali.resource -> 'container' -> 0 -> 'specimenQuantity' ->> 'value')::float s_ali_amountrest,
+		s_ali_grp.resource ->> 'id' s_ali_grp_id, 	
+		sample_type_ali_grp.sample_type as s_ali_grp_type,
+		(s_ali_grp.resource -> 'container' -> 0 -> 'specimenQuantity' ->> 'value')::float s_ali_grp_amountrest,
+		s_mother.resource ->> 'id' s_mother_id, 
+		sample_type_mother.sample_type as s_mother_type,
+		(s_mother.resource -> 'container' -> 0 -> 'specimenQuantity' ->> 'value')::float s_mother_amountrest,
+		s_mother.resource -> 'subject' ->> 'reference' as patient_id
+	FROM specimen s_ali
+	JOIN specimen s_ali_grp ON (s_ali.resource->'parent'->0->>'reference')::text = (s_ali_grp.resource->>'resourceType')::text || '/' || (s_ali_grp.resource->>'id')::text
+	JOIN specimen s_mother ON (s_ali_grp.resource->'parent'->0->>'reference')::text = (s_mother.resource->>'resourceType')::text || '/' || (s_mother.resource->>'id')::text
+	join t as sample_type_ali on s_ali.resource ->> 'id' = sample_type_ali.s_id
+	join t as sample_type_ali_grp on s_ali_grp.resource ->> 'id' = sample_type_ali_grp.s_id
+	join t as sample_type_mother on s_mother.resource ->> 'id' = sample_type_mother.s_id
+	where (s_ali.resource -> 'container' -> 0 -> 'specimenQuantity' ->> 'value')::float > 0
+),
+t3 as (
+select distinct 
+	t2.patient_id,
+	c.resource -> 'code' -> 'coding' -> 0 ->> 'code' icd10_code,
+	c.resource -> 'code' ->> 'text' diag_desc,
+	t2.s_mother_type
+from t2
+join condition c on t2.patient_id = c.resource -> 'subject' ->> 'reference'
+)
+select icd10_code, diag_desc, count(distinct patient_id) patient_count, s_mother_type, count(s_mother_type) sample_count
+from t3
+group by icd10_code, diag_desc, patient_id, s_mother_type;

resources/sql/SIORGP_PUBLIC_MAIN

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+/*
+SIorgP MetPredict project
+The approach chosen here is to minimize the number of tasks generated and thus network traffic via Beam
+=> one large query that returns the most necessary fields over multiple smaller queries
+*/
+with t as (
+select
+o.resource->'subject'->>'reference' as pat_ref,
+o.resource->'code'->'coding'->0->>'code' as crf,
+  component->'code'->'coding'->0->>'code' AS code,
+  COALESCE(
+      component->'valueCodeableConcept'->'coding'->0->>'code',
+      component->>'valueDateTime',
+      component->'valueQuantity'->>'value',
+      component->>'valueString'
+    ) AS value
+FROM 
+  observation o ,
+  jsonb_array_elements(o.resource->'component') AS component
+where o.resource->'code'->'coding'->0->>'code' like 'SIOrgP%'
+),
+t2 AS (
+select t.value as pat_pseudonym,
+	-- t.crf,
+	p.resource->>'gender' as gender,
+	p.resource->>'birthDate' as birth_date,
+	t5.value as organoid_id,	
+	t2.value as location_primary_tumor,
+	t7.value as location_primary_tumor_precise,
+	t3.value as therapy,
+	t4.value as metastases_therapy,
+	t6.value::integer as age_at_enrollment
+from t
+left join t t2 on t.pat_ref = t2.pat_ref and t2.code='SIOP_LOCALISATION_PRIMARY_TUMOR' 
+left join t t3 on t.pat_ref = t3.pat_ref and t3.code='SIOP_NEOADJ_T_RECTAL_CARCINOMA' 
+left join t t4 on t.pat_ref = t4.pat_ref and t4.code='SIOP_NEOADJ_CTX_MET'
+left join t t5 on t.pat_ref = t5.pat_ref and t5.code like 'SIOP_SAMPLE_M0%_PSEUDONYM'
+left join t t6 on t.pat_ref = t6.pat_ref and t6.code='SIOP_AGE_STUDY_ENROLLMENT'
+left join t t7 on t.pat_ref = t7.pat_ref and t7.code='SIOP_LOCALISATION_PRIMARY_TUMOR_COLON'
+left join patient p on t.pat_ref = 'Patient/' || (p.resource->>'id')::text
+where t.crf like 'SIOrgP - MetPredict - Visite 1%' and t.code = 'SIOP_PATIENT_PSEUDONYM'
+),
+t8 as (
+  select pat_pseudonym, count(distinct organoid_id) n_organoids
+  from t2 
+  group by pat_pseudonym
+)
+-- patients having <= 3 organoids
+select 'MetPredict' as project, 'pat_pdos_leq_3' as field, (select count(distinct pat_pseudonym) from t8 where n_organoids <= 3) as value
+union
+-- patients having 4 organoids
+select 'MetPredict' as project, 'pat_pdos_4' as field, (select count(distinct pat_pseudonym) from t8 where n_organoids = 4) as value
+union
+-- patients having 5 organoids
+select 'MetPredict' as project, 'pat_pdos_5' as field, (select count(distinct pat_pseudonym) from t8 where n_organoids = 5) as value
+union
+-- patients having > 5 organoids
+select 'MetPredict' as project, 'pat_pdos_gt_5' as field, (select count(distinct pat_pseudonym) from t8 where n_organoids > 5) as value
+union
+-- the total number of patients
+select 'MetPredict' as project, 'n_patients' as field, (select count(distinct pat_pseudonym) from t2) as value
+union
+-- the total number of organoids
+select 'MetPredict' as project, 'n_organoids' as field, (select count(distinct organoid_id) from t2) as value
+union
+select 'MetPredict' as project, 'gender_male' as field, (select count(distinct pat_pseudonym) from t2 where gender = 'male') as value
+union 
+select 'MetPredict' as project, 'gender_female' as field, (select count(distinct pat_pseudonym) from t2 where gender = 'female') as value
+union 
+select 'MetPredict' as project, '<=30' as field, (select count(distinct pat_pseudonym) from t2 where age_at_enrollment <= 30) as value
+union 
+select 'MetPredict' as project, '31-40' as field, (select count(distinct pat_pseudonym) from t2 where age_at_enrollment >= 31 and age_at_enrollment <= 40) as value
+union 
+select 'MetPredict' as project, '41-50' as field, (select count(distinct pat_pseudonym) from t2 where age_at_enrollment >= 41 and age_at_enrollment <= 50) as value
+union 
+select 'MetPredict' as project, '51-60' as field, (select count(distinct pat_pseudonym) from t2 where age_at_enrollment >= 51 and age_at_enrollment <= 60) as value
+union 
+select 'MetPredict' as project, '>=61' as field, (select count(distinct pat_pseudonym) from t2 where age_at_enrollment >= 61) as value;

resources/sql/SIORGP_PUBLIC_NPAT

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+-- Test query. Number of patients that have a documented visit 1
+select count(distinct p.resource)
+from observation o
+join patient p on o.resource->'subject'->>'reference' = 'Patient/' || (p.resource->>'id')::text
+where o.resource->'code'->'coding'->0->>'code' like 'SIOrgP - MetPredict - Visite 1%';

resources/sql/SIORGP_PUBLIC_NVISIT2B

@@ -0,0 +1,4 @@
+-- Test query: Number of observations for visit 2b as a lower bound for the number of expected organoids
+select count(o) 
+from observation o
+where o.resource->'code'->'coding'->0->>'code' like 'SIOrgP - MetPredict - Visite 2b%';

resources/test/result_current.cql

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+library Retrieve
+using FHIR version '4.0.0'
+include FHIRHelpers version '4.0.0'
+
+codesystem icd10: 'http://hl7.org/fhir/sid/icd-10'
+codesystem SampleMaterialType: 'https://fhir.bbmri.de/CodeSystem/SampleMaterialType'
+codesystem icd10gm: 'http://fhir.de/CodeSystem/dimdi/icd-10-gm'
+codesystem icd10gmnew: 'http://fhir.de/CodeSystem/bfarm/icd-10-gm'
+codesystem StorageTemperature: 'https://fhir.bbmri.de/CodeSystem/StorageTemperature'
+
+
+context Patient
+
+define AgeClass:
+if (Patient.birthDate is null) then 'unknown' else ToString((AgeInYears() div 10) * 10)
+
+define Gender:
+if (Patient.gender is null) then 'unknown' else Patient.gender
+
+define Custodian:
+    First(from Specimen.extension E
+    where E.url = 'https://fhir.bbmri.de/StructureDefinition/Custodian'
+    return (E.value as Reference).identifier.value)
+
+define function SampleType(specimen FHIR.Specimen):
+    case FHIRHelpers.ToCode(specimen.type.coding.where(system = 'https://fhir.bbmri.de/CodeSystem/SampleMaterialType').first())
+       when Code 'plasma-edta' from SampleMaterialType then 'blood-plasma'
+       when Code 'plasma-citrat' from SampleMaterialType then 'blood-plasma'
+       when Code 'plasma-heparin' from SampleMaterialType then 'blood-plasma'
+       when Code 'plasma-cell-free' from SampleMaterialType then 'blood-plasma'
+       when Code 'plasma-other' from SampleMaterialType then 'blood-plasma'
+       when Code 'plasma' from SampleMaterialType then 'blood-plasma'
+       when Code 'tissue-formalin' from SampleMaterialType then 'tissue-ffpe'
+       when Code 'tumor-tissue-ffpe' from SampleMaterialType then 'tissue-ffpe'
+       when Code 'normal-tissue-ffpe' from SampleMaterialType then 'tissue-ffpe'
+       when Code 'other-tissue-ffpe' from SampleMaterialType then 'tissue-ffpe'
+       when Code 'tumor-tissue-frozen' from SampleMaterialType then 'tissue-frozen'
+       when Code 'normal-tissue-frozen' from SampleMaterialType then 'tissue-frozen'
+       when Code 'other-tissue-frozen' from SampleMaterialType then 'tissue-frozen'
+       when Code 'tissue-paxgene-or-else' from SampleMaterialType then 'tissue-other'
+       when Code 'derivative' from SampleMaterialType then 'derivative-other'
+       when Code 'liquid' from SampleMaterialType then 'liquid-other'
+       when Code 'tissue' from SampleMaterialType then 'tissue-other'
+       when Code 'serum' from SampleMaterialType then 'blood-serum'
+       when Code 'cf-dna' from SampleMaterialType then 'dna'
+       when Code 'g-dna' from SampleMaterialType then 'dna'
+       when Code 'blood-plasma' from SampleMaterialType then 'blood-plasma'
+       when Code 'tissue-ffpe' from SampleMaterialType then 'tissue-ffpe'
+       when Code 'tissue-frozen' from SampleMaterialType then 'tissue-frozen'
+       when Code 'tissue-other' from SampleMaterialType then 'tissue-other'
+       when Code 'derivative-other' from SampleMaterialType then 'derivative-other'
+       when Code 'liquid-other' from SampleMaterialType then 'liquid-other'
+       when Code 'blood-serum' from SampleMaterialType then 'blood-serum'
+       when Code 'dna' from SampleMaterialType then 'dna'
+       when Code 'buffy-coat' from SampleMaterialType then 'buffy-coat'
+       when Code 'urine' from SampleMaterialType then 'urine'
+       when Code 'ascites' from SampleMaterialType then 'ascites'
+       when Code 'saliva' from SampleMaterialType then 'saliva'
+       when Code 'csf-liquor' from SampleMaterialType then 'csf-liquor'
+       when Code 'bone-marrow' from SampleMaterialType then 'bone-marrow'
+       when Code 'peripheral-blood-cells-vital' from SampleMaterialType then 'peripheral-blood-cells-vital'
+       when Code 'stool-faeces' from SampleMaterialType then 'stool-faeces'
+       when Code 'rna' from SampleMaterialType then 'rna'
+       when Code 'whole-blood' from SampleMaterialType then 'whole-blood'
+       when Code 'swab' from SampleMaterialType then 'swab'
+       when Code 'dried-whole-blood' from SampleMaterialType then 'dried-whole-blood'
+       when null  then 'Unknown'
+       else 'Unknown'
+   end
+define Specimen:
+    if InInitialPopulation then [Specimen] S where (((((FHIRHelpers.ToDateTime(S.collection.collected) between @1900-01-01 and @2024-10-25) )) and (((((S.extension.where(url='https://fhir.bbmri.de/StructureDefinition/StorageTemperature').value.coding.code contains 'temperature2to10'))))))) else {} as List<Specimen>
+
+define Diagnosis:
+if InInitialPopulation then [Condition] else {} as List<Condition>
+
+define function DiagnosisCode(condition FHIR.Condition):
+condition.code.coding.where(system = 'http://fhir.de/CodeSystem/bfarm/icd-10-gm').code.first()
+
+define function DiagnosisCode(condition FHIR.Condition, specimen FHIR.Specimen):
+Coalesce(
+  condition.code.coding.where(system = 'http://hl7.org/fhir/sid/icd-10').code.first(),
+  condition.code.coding.where(system = 'http://fhir.de/CodeSystem/dimdi/icd-10-gm').code.first(),
+  condition.code.coding.where(system = 'http://fhir.de/CodeSystem/bfarm/icd-10-gm').code.first(),
+  specimen.extension.where(url='https://fhir.bbmri.de/StructureDefinition/SampleDiagnosis').value.coding.code.first()
+  )
+
+define InInitialPopulation:
+((((((Patient.gender = 'male')))) and ((((((exists[Condition: Code 'C61' from icd10]) or (exists[Condition: Code 'C61' from icd10gm]) or (exists[Condition: Code 'C61' from icd10gmnew])) or (exists from [Specimen] S where (S.extension.where(url='https://fhir.bbmri.de/StructureDefinition/SampleDiagnosis').value.coding.code contains 'C61')))))) and (( AgeInYears() between Ceiling(10) and Ceiling(90)))) or (((exists from [Specimen] S
+where FHIRHelpers.ToDateTime(S.collection.collected) between @1900-01-01 and @2024-10-25 )) and ((((exists from [Specimen] S where (S.extension.where(url='https://fhir.bbmri.de/StructureDefinition/StorageTemperature').value.coding contains Code 'temperature2to10' from StorageTemperature) ))))))