Stian Soiland-Reyes
eScience lab, The University of Manchester
Approaches to Research Data Packaging
BoF at Research Data Alliance (RDA) 11th Plenary
Berlin, 2018-03-22
This work is licensed under a
Creative Commons Attribution 4.0 International License.
A Research Object bundles and relates digital resources of a scientific experiment or investigation:
Data used and results produced in experimental study
Methods employed to produce and analyse that data
Provenance and settings for the experiments
People involved in the investigation
Annotations about these resources, to improve understanding and interpretation
id: doi:10.15490/seek.1.investigation.56
createdOn: 2015-07-10T16:46:00Z
createdBy: http://orcid.org/0000-0001-9842-9718
aggregates:
- id: data/sequence/specimen5.bam
conformsTo: http://gemrb.org/iesdp/file_formats/ie_formats/bam_v1.htm
- id: http://example.com/blog/about-specimen5
authoredBy: http://orcid.org/0000-0001-7066-3350
- id: http://www.myexperiment.org/workflows/3355
history: provenance/workflow-evolution.ttl
annotations:
- about: data/sequence/specimen5.bam
content: annotations/specimen5-properties.jsonld
createdBy: http://orcid.org/0000-0001-7066-3350
- about: data/sequence/specimen5.bam
content: http://example.com/blog/about-specimen5
motivatedBy: oa:questioning
(simplified)
Reuse standards:
OAI-ORE, BagIt, W3C JSON-LD, PROV, Web Annotation Model
metadata/manifest.json
data/sequence/specimen5.bam
provenance/workflow-evolution.ttl
http://example.com/blog/about-specimen5
http://www.myexperiment.org/workflows/335
http://orcid.org/0000-0001-7066-3350
http://gemrb.org/iesdb/
file_formats_ie_formats_bam_v1.html
Copyright © 2013 W3C® (MIT, ERCIM, Keio, Beihang), All Rights Reserved. W3C liability, trademark and document use rules apply.
PROV Model Primer
cwlVersion: v1.0
class: Workflow
inputs:
inp: File
ex: string
outputs:
classout:
type: File
outputSource: compile/classfile
steps:
untar:
run: tar-param.cwl
in:
tarfile: inp
extractfile: ex
out: [example_out]
compile:
run: arguments.cwl
in:
src: untar/example_out
out: [classfile]
{
"@context" : [ "https://w3id.org/bundle/context" ],
"id" : "/",
"manifest" : [ "manifest.json" ],
"createdOn" : "2017-08-24T10:57:46.325Z",
"createdBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
}, {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:porter@porter.st",
"name" : "Andrey Kartashov"
}, {
"uri" : "mailto:janko.simonovic@sbgenomics.com",
"name" : "Janko Simonovic"
} ],
"retrievedFrom" : "https://github.com/common-workflow-language/workflows/blob/lobstr-v1/workflows/lobSTR/",
"retrievedOn" : "2017-08-24T10:57:46.325Z",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"history" : [ "http:/git2prov.org/git2prov?giturl=https:/github.com/common-workflow-language/workflows.git&serialization=PROV-JSON" ],
"aggregates" : [ {
"uri" : "/workflow/tmp_2.fq",
"mediatype" : "application/octet-stream",
"createdOn" : "2017-08-24T10:57:46.923Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/tmp_2.fq",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:61579f3e-63e6-49c2-b780-f67b2df461b7",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/lobSTR-demo.json",
"mediatype" : "application/json",
"createdOn" : "2017-08-24T10:57:47.216Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/lobSTR-demo.json",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:973caa0e-f3bd-45e8-8d29-70123bc8715a",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/models/illumina_v3.pcrfree.stuttermodel",
"mediatype" : "application/octet-stream",
"createdOn" : "2017-08-24T10:57:47.239Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/models/illumina_v3.pcrfree.stuttermodel",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:62bbcbea-f34f-463f-990d-6148f8ed5e5c",
"folder" : "/workflow/models/"
}
}, {
"uri" : "/workflow/models/illumina_v3.pcrfree.stepmodel",
"mediatype" : "application/octet-stream",
"createdOn" : "2017-08-24T10:57:47.266Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/models/illumina_v3.pcrfree.stepmodel",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:03439ae7-cd94-42a3-b5fe-40bfff6882d8",
"folder" : "/workflow/models/"
}
}, {
"uri" : "/workflow/samtools-sort.cwl",
"mediatype" : "text/x-yaml",
"createdOn" : "2017-08-24T10:57:47.269Z",
"authoredBy" : [ {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:porter@porter.st",
"name" : "Andrey Kartashov"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/samtools-sort.cwl",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"conformsTo" : "https://w3id.org/cwl/v1.0",
"bundledAs" : {
"uri" : "urn:uuid:2dc07859-efc2-4945-a95f-ba7815b68d07",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/lobSTR-workflow.cwl",
"mediatype" : "text/x-yaml",
"createdOn" : "2017-08-24T10:57:47.42Z",
"authoredBy" : [ {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/lobSTR-workflow.cwl",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"conformsTo" : "https://w3id.org/cwl/v1.0",
"bundledAs" : {
"uri" : "urn:uuid:58bc1895-3460-46d6-91d7-fa1718d09631",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/lobSTR-arvados-demo.json",
"mediatype" : "application/json",
"createdOn" : "2017-08-24T10:57:47.453Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/lobSTR-arvados-demo.json",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:30c683bc-69fb-4d93-8dad-65b663783af5",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/samtools-index.cwl",
"mediatype" : "text/x-yaml",
"createdOn" : "2017-08-24T10:57:47.458Z",
"authoredBy" : [ {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:porter@porter.st",
"name" : "Andrey Kartashov"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/samtools-index.cwl",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"conformsTo" : "https://w3id.org/cwl/v1.0",
"bundledAs" : {
"uri" : "urn:uuid:8235d3f8-6927-4f73-b160-8521838a1cbb",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/lobSTR-tool.cwl",
"mediatype" : "text/x-yaml",
"createdOn" : "2017-08-24T10:57:47.476Z",
"authoredBy" : [ {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/lobSTR-tool.cwl",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"conformsTo" : "https://w3id.org/cwl/v1.0",
"bundledAs" : {
"uri" : "urn:uuid:7fa6fbe4-1fc5-4cb5-9c1a-56b96c5f7aaf",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/allelotype.cwl",
"mediatype" : "text/x-yaml",
"createdOn" : "2017-08-24T10:57:47.537Z",
"authoredBy" : [ {
"uri" : "mailto:luka.stojanovic@sbgenomics.com",
"name" : "Luka Stojanovic"
}, {
"uri" : "mailto:janko.simonovic@sbgenomics.com",
"name" : "Janko Simonovic"
}, {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/allelotype.cwl",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"conformsTo" : "https://w3id.org/cwl/v1.0",
"bundledAs" : {
"uri" : "urn:uuid:3706bd2f-e53f-431d-b32a-deb661d9b292",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/README",
"mediatype" : "application/octet-stream",
"createdOn" : "2017-08-24T10:57:47.555Z",
"authoredBy" : [ {
"uri" : "mailto:crusoe@ucdavis.edu",
"name" : "Michael R. Crusoe"
}, {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/README",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:ed54c4d6-c585-4dc9-b7bc-0cf299e20b91",
"folder" : "/workflow/"
}
}, {
"uri" : "/workflow/tmp_1.fq",
"mediatype" : "application/octet-stream",
"createdOn" : "2017-08-24T10:57:47.738Z",
"authoredBy" : [ {
"uri" : "mailto:peter.amstutz@curoverse.com",
"name" : "Peter Amstutz"
} ],
"retrievedFrom" : "https://raw.githubusercontent.com/common-workflow-language/workflows/lobstr-v1/workflows/lobSTR/tmp_1.fq",
"retrievedBy" : {
"uri" : "https://view.commonwl.org",
"name" : "Common Workflow Language Viewer"
},
"bundledAs" : {
"uri" : "urn:uuid:5d431f81-ad0b-4acf-903a-9d5aa03b04df",
"folder" : "/workflow/"
}
}, {
"uri" : "/visualisation.png",
"mediatype" : "image/png",
"createdOn" : "2017-08-24T10:57:47.801Z",
"retrievedFrom" : "https://view.commonwl.org/graph/png/github.com/common-workflow-language/workflows/blob/lobstr-v1/workflows/lobSTR/lobSTR-workflow.cwl",
"bundledAs" : {
"uri" : "urn:uuid:ff9ace37-e76c-49f8-8d36-60f11ff6d257",
"folder" : "/"
}
}, {
"uri" : "/visualisation.svg",
"mediatype" : "image/svg+xml",
"createdOn" : "2017-08-24T10:57:47.821Z",
"retrievedFrom" : "https://view.commonwl.org/graph/svg/github.com/common-workflow-language/workflows/blob/lobstr-v1/workflows/lobSTR/lobSTR-workflow.cwl",
"bundledAs" : {
"uri" : "urn:uuid:a6cfb437-8818-4ab2-9081-efc74c5109e8",
"folder" : "/"
}
} ],
"annotations" : [ {
"uri" : "urn:uuid:9f602fff-b280-41c5-9590-ab95a49c85ad",
"about" : "/",
"content" : "annotations/merged.cwl"
}, {
"uri" : "urn:uuid:0ce4b727-ff61-4534-9afb-e3d676d2782d",
"about" : "/",
"content" : "annotations/workflow.ttl"
} ]
}
#!/usr/bin/env cwl-runner
cwlVersion: v1.0
class: Workflow
label: "Hello World"
doc: "Outputs a message using echo"
inputs: []
outputs:
response:
outputSource: step0/response
type: File
steps:
step0:
run:
class: CommandLineTool
inputs:
message:
type: string
doc: "The message to print"
default: "Hello World"
inputBinding:
position: 1
baseCommand: echo
stdout: response.txt
outputs:
response:
type: stdout
in: []
out: [response]
Output 1B file is also Input 2C and Input 3D downstream
Simple filenames -> duplications
./data/step1/outputB.txt
./data/step2/inputC.txt
./data/step3/inputD.txt
Content-adressable
SHA-256 hash of bytes as filename:
./data/51/51fb8af0c4ae0422fbe88340d91880ecb9d7537cf57339c1cf1256b7ca58f32d
RFC6920 URI as global identifier:
nih:sha-256;51fb8af0c4ae0422fbe88340d91880ecb9d7537cf57339c1cf1256b7ca58f32d
2018-07-01 Abstracts due
2018-07-15 Research articles and software/data articles due
2018-10-29 RO2018 workshop at IEEE eScience 2018
Submitted abstracts and articles can be in a range of open formats (e.g. HTML, ePub) and are particularly encouraged to be submitted in a FAIR research data packing format.