Go FAIR with DataLad

http://datalad.org

Michael Hanke

Psychoinformatics lab, Institute of Psychology, University of Magdeburg
Center for Behavioral Brain Sciences, Magdeburg


  • F

    indable
  • A

    ccessible
  • I

    nteroperable
  • R

    eusable
https://www.go-fair.org/fair-principles

FAIR principles

F1
(Meta)data are assigned a globally unique and persistent identifier
F2
Data are described with rich metadata
F3
Metadata clearly and explicitly include the identifier of the data they describe
F4
(Meta)data are registered or indexed in a searchable resource

A1
(Meta)data are retrievable by their identifier using a standardised ... protocol
A1.1
The protocol is open, free, and universally implementable
A1.2
The protocol allows for an authentication and authorisation procedure
A2
Metadata are accessible, even when the data are no longer available

I1
(Meta)data use a formal, accessible ... language for knowledge representation.
I2
(Meta)data use vocabularies that follow FAIR principles
I3
(Meta)data include qualified references to other (meta)data

R1
Meta(data) are richly described with a plurality of accurate and relevant attributes
R1.1
(Meta)data are released with a clear and accessible data usage license
R1.2
(Meta)data are associated with detailed provenance
R1.3
(Meta)data meet domain-relevant community standards
https://www.go-fair.org/fair-principles

To whom should we be FAIR?

[...] The intent is that these may act as a guideline for those wishing to enhance the reusability of their data holdings.
Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., ... & Bouwman, J. (2016). The FAIR Guiding Principles for scientific data management and stewardship. Scientific data, 3.

With whom do we share our data holdings?

[fictional figure — reality is likely worse]

DataLad

A data management suite that makes YOU more productive...

...and also yields FAIR resources
that you can share with anyone you see fit.

Datalad principles

  • There are only two things in the world: datasets and files.
  • A dataset is a Git repository.
  • A dataset can have an optional annex for (large) file content tracking (transport to and from the annex managed with Git-annex, https://git-annex.branchable.com).
  • Minimization of custom procedures and data structures: Users must not loose data or data access, if DataLad would vanish.
  • Complete decentralization, no required central server or service.
  • Maximize use of existing 3rd-party infrastructure.

Dataset: tracking content and/or its identifiers

Dataset ID, Dataset annex (local) storage ID
two distinct UUIDs
Dataset version (Git repository state)
SHASUM
File key
configurable checksum (file content based)

Install an existing dataset

request via standard URL,
but dataset ID resolver is possible

$ datalad install http://example.com/ds1

Obtain dataset content

request via user-friendly local file path, not internal ID,
regardless of remote actual storage solution properties

ds1/ $ datalad get file2

Tracking "remote" data evolution

ability to track any number of dataset "siblings",
in Git or non-Git data stores

ds1/ $ datalad update

Keep up-to-date

apply changes from default or selected sibling
while maintaining local data availability status

ds1/ $ datalad update --merge --reobtain-data

Dataset linkage

$ datalad install --dataset . --source http://example.com/importantds inputs/rawdata

$ git diff HEAD~1
diff --git a/.gitmodules b/.gitmodules
new file mode 100644
index 0000000..c3370ba
--- /dev/null
+++ b/.gitmodules
@@ -0,0 +1,3 @@
+[submodule "inputs/rawdata"]
+       path = inputs/rawdata
+       url = http://example.com/importantds
diff --git a/inputs/rawdata b/inputs/rawdata
new file mode 160000
index 0000000..fabf852
--- /dev/null
+++ b/inputs/rawdata
@@ -0,0 +1 @@
+Subproject commit fabf8521130a13986bd6493cb33a70e580ce8572

Arbitrarily deep dataset nesting

"actionable" links to subdatasets/files, seamless handling of dataset trees

Data provenance capture

$ datalad run -m "Perform eye movement event detection"\
  --input 'inputs/raw_eyegaze/sub-*/beh/sub-*...tsv.gz' \
  --output 'sub-*' \
  bash code/compute_all.sh

-- Git commit -- Michael Hanke <michael.hanke@gmail.com>; Fri Sep 21 22:00:47 2018
    [DATALAD RUNCMD] Perform eye movement event detection
    === Do not change lines below ===
    {
     "cmd": "bash code/compute_all.sh",
     "dsid": "d2b4b72a-7c13-11e7-9f1f-a0369f7c647e",
     "exit": 0,
     "inputs": ["inputs/raw_eyegaze/sub-*/beh/sub-*_task-movie_run-*_....tsv.gz"],
     "outputs": ["sub-*"],
     "pwd": "."
    }
    ^^^ Do not change lines above ^^^
---
 sub-01/sub-01_task-movie_run-1_events.png | 2 +-
 sub-01/sub-01_task-movie_run-1_events.tsv | 2 +-
...

"Complete" provenance capture

$ datalad containers-run -n nilearn \
  --input 'inputs/mri_aligned/sub-*/in_bold3Tp2/sub-*_task-avmovie_run-*_bold*' \
  --output 'sub-*/LC_timeseries_run-*.csv' \
  "bash -c 'for sub in sub-*; do for run in run-1 ... run-8;
     do python3 code/extract_lc_timeseries.py \$sub \$run; done; done'"

-- Git commit -- Michael Hanke <michael.hanke@gmail.com>; Fri Jul 6 11:02:28 2018
    [DATALAD RUNCMD] singularity exec --bind {pwd} .datalad/e...
    === Do not change lines below ===
    {
     "cmd": "singularity exec --bind {pwd} .datalad/environments/nilearn.simg bash..",
     "dsid": "92ea1faa-632a-11e8-af29-a0369f7c647e",
     "exit": 0,
     "inputs": [
      "inputs/mri_aligned/sub-*/in_bold3Tp2/sub-*_task-avmovie_run-*_bold*",
      ".datalad/environments/nilearn.simg"
     ],
     "outputs": ["sub-*/LC_timeseries_run-*.csv"],
     "pwd": "."
    }
    ^^^ Do not change lines above ^^^
---
 sub-01/LC_timeseries_run-1.csv | 1 +
 sub-01/LC_timeseries_run-2.csv | 1 +
...

(Automated) Metadata logistics

  • Whole datasets and individual files can have metadata
  • Metadata plurality: no need to decide on a single standard
  • JSON-LD format (for true semantic graphs, or simple dumps)
  • Concept:
    • Metadata are automatically (and repeatedly) extracted from source data
    • Implementation of metadata extractors decides on content/structure
    • Dataset authors/curators decide on extractor selection
    • Metadata are managed by DataLad (optionally annexed), and can be separated from a dataset and aggregated into super-datasets
    • (Super)datasets can be queried for all available metadata of any content, regardless of that content being locally available or not
  • DataLad can serve as a transport layer for metadata
http://docs.datalad.org/en/latest/metadata.html#internal-metadata-representation

Example JSON-LD metadata structure

{
  "@context": {
    "@version": 1.1,
    "schema": "http://schema.org/",
    "name": "schema:name",
    "records": {
      "@id": "@graph",
      "@container": "@type"
    },
    "nidm": "http://nidm#",
    "niiri": "http://niiri#",
    "prov": "http://prov#",
    "atLocation": "http://prov#atLocation",
    "designMatrix": "nidm:designMatrix",
    "data": "nidm:designMatrix",
    "regressorNames": "nidm:regressorNames"
  },


  "name": "My NIDM graph",
  "records": {
    "designMatrix": {
      "@id": "niiri:0001",
      "name": "Some design matrix",
      "atLocation": "DesignMatrix.csv",
      "regressorNames": "[motor_left, motor_right]"
    },
    "data": {
      "@id": "niiri:0002",
      "name": "Some Data"
    }
  }
}

a true graph with defined terms, but processable without a graph representation

Metadata-based search for individual files

across datasets, without a DB (server)

$ datalad \
  -c datalad.search.index-egrep-documenttype=files \
  -f json_pp \
  search \
    bids.subject.sex:female \
    bids.type:t1 \
    bids.subject.age:24
{
  "dsid": "4842e188-7df5-11e6-8e6b-002590f97d84",
  "metadata": {
    "@context": {...},
    "bids": {...},
    "datalad_core": {
      "url": [
        "http://openneuro.s3.amazonaws.com/ds000008/ds000008_R1.1.0/...MZ92g",
        "http://openneuro.s3.amazonaws.com/ds000008/ds000008_R1.1.1/...UyanK",
        "http://openneuro.s3.amazonaws.com/ds000008/ds000008_R2.0.0/..._flBz"
      ]
    },
    "nifti1": {...},
  "parentds": "/tmp/mega/openfmri/ds000008",
  "path": "/tmp/mega/openfmri/ds000008/sub-15/anat/sub-15_T1w.nii.gz",
  "query_matched": {
    "bids.subject.age(years)": "24",
    "bids.subject.sex": "female",
    "bids.type": "T1"
  },
  "refcommit": "b18692ef1beefd88055bc0578b7567a8f4fdf8f9",
  "type": "file"
}
...
    

alternative output formats: JSON stream, custom, ...

Publish

  • Wide variety of supported storage solutions (SSH-servers, GIN, DropBox, Box.com, Google, WEBDAV, bittorrent, IPFS, ...) via Git-annex
  • Full support for data encryption
  • Multiple redundant synchronized publication targets are supported ("publish 2TB on GitHub")
  • Per-target configuration of accepted content, with dedicated set of permissions and authorization mechanisms
  • Export of dataset to FigShare and similar storage solutions

Extend DataLad

  • Separate Python packages, anybody can develop their own
  • Support for tailored solutions with narrower scope or specific audiences extensions
  • Extensions can provides additional commands, procedures, metadata extractors, webapps
  • Available extensions
    • crawler: track web resources in automated data distributions
    • neuroimaging: neuroimaging research data and workflow
    • containers: support for containerized computational environments
    • webapp: REST API for querying/manipulating datasets
    • hirni: imaging raw data management/entry
http://docs.datalad.org/en/latest/customization.html#extension-packages

Summary

What FAIR issues does DataLad not solve?

I2
(Meta)data use vocabularies that follow FAIR principles
I3
(Meta)data include qualified references to other (meta)data

R1.1
(Meta)data are released with a clear and accessible data usage license
R1.3
(Meta)data meet domain-relevant community standards

This is up to "you"!

https://www.go-fair.org/fair-principles

Acknowledgements

  • Yaroslav Halchenko
  • Joey Hess (git-annex)
  • Benjamin Poldrack
  • Kyle Meyer
  • 20+ additional contributors

Website: http://datalad.org
Development: http://github.com/datalad
Talk: https://matrix.to/#/#datalad:matrix.org
Open data: http://datasets.datalad.org