diff --git a/docs/examples/WfExS-backend/wombat-pipelines_provenance/README.md b/docs/examples/WfExS-backend/wombat-pipelines_provenance/README.md index 6d45746..3c5d22f 100644 --- a/docs/examples/WfExS-backend/wombat-pipelines_provenance/README.md +++ b/docs/examples/WfExS-backend/wombat-pipelines_provenance/README.md @@ -2,7 +2,7 @@ RO-Crate from staged WfExS working directory 047b6dfc-3547-4e09-92f8-df7143038ff4 (overbridging templon) -This RO-Crate has been generated by WfExS-backend 0.9.3-172-g19d40b7 (19d40b76864074d03a7c6a9e08e7cfe2da2f3f41) , +This RO-Crate has been generated by WfExS-backend 0.9.3-192-g93901ff (93901ff9f5e88903b917d62cd0302454ae52364c, branch main) , whose sources are available at https://github.com/inab/WfExS-backend. ## Software containers and metadata diff --git a/docs/examples/WfExS-backend/wombat-pipelines_provenance/ro-crate-metadata.json b/docs/examples/WfExS-backend/wombat-pipelines_provenance/ro-crate-metadata.json index 01214d7..346aaa5 100644 --- a/docs/examples/WfExS-backend/wombat-pipelines_provenance/ro-crate-metadata.json +++ b/docs/examples/WfExS-backend/wombat-pipelines_provenance/ro-crate-metadata.json @@ -2,7 +2,13 @@ "@context": [ "https://w3id.org/ro/crate/1.1/context", { - "sha256": "https://w3id.org/ro/terms/workflow-run#sha256" + "ContainerImage": "https://w3id.org/ro/terms/workflow-run#ContainerImage", + "DockerImage": "https://w3id.org/ro/terms/workflow-run#DockerImage", + "SIFImage": "https://w3id.org/ro/terms/workflow-run#SIFImage", + "containerImage": "https://w3id.org/ro/terms/workflow-run#containerImage", + "registry": "https://w3id.org/ro/terms/workflow-run#registry", + "sha256": "https://w3id.org/ro/terms/workflow-run#sha256", + "tag": "https://w3id.org/ro/terms/workflow-run#tag" } ], "@graph": [ @@ -20,7 +26,7 @@ "@id": "https://w3id.org/workflowhub/workflow-ro-crate/1.0" } ], - "datePublished": "2023-09-25T02:45:28+00:00", + "datePublished": "2023-10-09T23:28:25+00:00", "description": "RO-Crate from staged WfExS working directory 047b6dfc-3547-4e09-92f8-df7143038ff4 (overbridging templon)", "hasPart": [ { @@ -703,7 +709,7 @@ "@id": "workflow/main.nf" }, "mentions": { - "@id": "#0859a1a2-bcde-47d9-859f-5035d95bccd4" + "@id": "#6fcd2bc5-12fe-4084-a8f7-d4ad676a03b2" } }, { @@ -761,7 +767,7 @@ "@id": "https://github.com/inab/WfExS-backend", "@type": "SoftwareApplication", "name": "WfExS-backend", - "softwareVersion": "0.9.3-172-g19d40b7 (19d40b76864074d03a7c6a9e08e7cfe2da2f3f41)", + "softwareVersion": "0.9.3-192-g93901ff (93901ff9f5e88903b917d62cd0302454ae52364c, branch main)", "url": "https://github.com/inab/WfExS-backend" }, { @@ -770,10 +776,10 @@ "about": { "@id": "./" }, - "contentSize": "5527", + "contentSize": "5540", "encodingFormat": "text/markdown", "license": "https://spdx.org/licenses/CC-BY-4.0.html", - "sha256": "05fd65a7ecb6c3aa4de49154332d1a8b1f500df87d387b1e31d6c8e94ffcdcde" + "sha256": "4612440ffa61d8e1b9305f8845db5f5c2e5996620c3111eff3bfd602b3271852" }, { "@id": "https://www.nextflow.io/", @@ -1253,6 +1259,12 @@ "name": "singularity", "softwareVersion": "apptainer version 1.1.7" }, + { + "@id": "https://www.docker.com/", + "@type": "SoftwareApplication", + "applicationCategory": "https://www.wikidata.org/wiki/Q7935198", + "name": "docker" + }, { "@id": "containers/wombatp-maxquant-pipeline-dev.img_meta.json", "@type": "File", @@ -1265,17 +1277,21 @@ }, { "@id": "docker://wombatp/maxquant-pipeline:dev", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/wombatp-maxquant-pipeline-dev.img_meta.json" - }, + "name": "wombatp/maxquant-pipeline", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "wombatp/maxquant-pipeline@sha256:02141cdca45d4a92982a0671a7dde7ac5e4a760bf29eae1fb82975f8484d26f0" + "softwareVersion": "wombatp/maxquant-pipeline@sha256:02141cdca45d4a92982a0671a7dde7ac5e4a760bf29eae1fb82975f8484d26f0", + "tag": "dev" }, { "@id": "containers/wombatp-maxquant-pipeline-v0.2.img_meta.json", @@ -1289,17 +1305,21 @@ }, { "@id": "docker://wombatp/maxquant-pipeline:v0.2", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/wombatp-maxquant-pipeline-v0.2.img_meta.json" - }, + "name": "wombatp/maxquant-pipeline", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "wombatp/maxquant-pipeline@sha256:02141cdca45d4a92982a0671a7dde7ac5e4a760bf29eae1fb82975f8484d26f0" + "softwareVersion": "wombatp/maxquant-pipeline@sha256:02141cdca45d4a92982a0671a7dde7ac5e4a760bf29eae1fb82975f8484d26f0", + "tag": "v0.2" }, { "@id": "containers/wombatp-proline-pipeline-v0.20.img_meta.json", @@ -1313,17 +1333,21 @@ }, { "@id": "docker://wombatp/proline-pipeline:v0.20", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/wombatp-proline-pipeline-v0.20.img_meta.json" - }, + "name": "wombatp/proline-pipeline", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "wombatp/proline-pipeline@sha256:5d94150829d98e333303cda81e1871b7bece67096cb31482c2f07a8ae6c0b81b" + "softwareVersion": "wombatp/proline-pipeline@sha256:5d94150829d98e333303cda81e1871b7bece67096cb31482c2f07a8ae6c0b81b", + "tag": "v0.20" }, { "@id": "containers/wombatp-proline-pipeline-v0.18.img_meta.json", @@ -1337,17 +1361,21 @@ }, { "@id": "docker://wombatp/proline-pipeline:v0.18", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/wombatp-proline-pipeline-v0.18.img_meta.json" - }, + "name": "wombatp/proline-pipeline", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "wombatp/proline-pipeline@sha256:77fcdd44749d1c4a354d33221c106de2ec68fd9c72f467ee99761eb72d8db172" + "softwareVersion": "wombatp/proline-pipeline@sha256:77fcdd44749d1c4a354d33221c106de2ec68fd9c72f467ee99761eb72d8db172", + "tag": "v0.18" }, { "@id": "containers/veitveit-searchgui-4.2.9--hdfd78af_0.img_meta.json", @@ -1361,17 +1389,21 @@ }, { "@id": "docker://veitveit/searchgui:4.2.9--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/veitveit-searchgui-4.2.9--hdfd78af_0.img_meta.json" - }, + "name": "veitveit/searchgui", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "veitveit/searchgui@sha256:744379255b7fd27c89a3d04e267c635519a399c33b64db81e9520a5886d5555a" + "softwareVersion": "veitveit/searchgui@sha256:744379255b7fd27c89a3d04e267c635519a399c33b64db81e9520a5886d5555a", + "tag": "4.2.9--hdfd78af_0" }, { "@id": "containers/quay.io-biocontainers-searchgui-4.2.9--hdfd78af_0.img_meta.json", @@ -1385,17 +1417,21 @@ }, { "@id": "docker://quay.io/biocontainers/searchgui:4.2.9--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-searchgui-4.2.9--hdfd78af_0.img_meta.json" - }, + "name": "biocontainers/searchgui", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/searchgui@sha256:94c44408a1f3a1be3b8eb754b25a908505f460b34c4a1a08b8db77eaee41d7aa" + "softwareVersion": "biocontainers/searchgui@sha256:94c44408a1f3a1be3b8eb754b25a908505f460b34c4a1a08b8db77eaee41d7aa", + "tag": "4.2.9--hdfd78af_0" }, { "@id": "containers/quay.io-biocontainers-polystest-1.3.4--hdfd78af_0.img_meta.json", @@ -1409,17 +1445,21 @@ }, { "@id": "docker://quay.io/biocontainers/polystest:1.3.4--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-polystest-1.3.4--hdfd78af_0.img_meta.json" - }, + "name": "biocontainers/polystest", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/polystest@sha256:7df22edd0d62e320fbc09c8ebc4e6683765314a99c2b1d4e41fb15af9762f638" + "softwareVersion": "biocontainers/polystest@sha256:7df22edd0d62e320fbc09c8ebc4e6683765314a99c2b1d4e41fb15af9762f638", + "tag": "1.3.4--hdfd78af_0" }, { "@id": "containers/depot.galaxyproject.org-singularity-maxquant-2.0.3.0--py310hdfd78af_1.img_meta.json", @@ -1433,11 +1473,13 @@ }, { "@id": "https://depot.galaxyproject.org/singularity/maxquant:2.0.3.0--py310hdfd78af_1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "SIFImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/depot.galaxyproject.org-singularity-maxquant-2.0.3.0--py310hdfd78af_1.img_meta.json" - }, + "name": "https://depot.galaxyproject.org/singularity/maxquant:2.0.3.0--py310hdfd78af_1", "operatingSystem": "linux", "processorRequirements": "amd64", "softwareRequirements": { @@ -1457,17 +1499,21 @@ }, { "@id": "docker://quay.io/biocontainers/maxquant:2.0.3.0--py310hdfd78af_1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-maxquant-2.0.3.0--py310hdfd78af_1.img_meta.json" - }, + "name": "biocontainers/maxquant", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/maxquant@sha256:3fddb6ffc8888e58537d07991d923f80252015463879b8719d98324ec317f7fe" + "softwareVersion": "biocontainers/maxquant@sha256:3fddb6ffc8888e58537d07991d923f80252015463879b8719d98324ec317f7fe", + "tag": "2.0.3.0--py310hdfd78af_1" }, { "@id": "containers/computationalproteomics-normalyzerde-1.14.0.img_meta.json", @@ -1481,17 +1527,21 @@ }, { "@id": "docker://computationalproteomics/normalyzerde:1.14.0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/computationalproteomics-normalyzerde-1.14.0.img_meta.json" - }, + "name": "computationalproteomics/normalyzerde", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "computationalproteomics/normalyzerde@sha256:da242fc2e7f4781fc5e248a5df42568bdc7c4f8a4857543c19d5407e30a0558e" + "softwareVersion": "computationalproteomics/normalyzerde@sha256:da242fc2e7f4781fc5e248a5df42568bdc7c4f8a4857543c19d5407e30a0558e", + "tag": "1.14.0" }, { "@id": "containers/quay.io-biocontainers-thermorawfileparser-1.4.0--ha8f3691_0.img_meta.json", @@ -1505,17 +1555,21 @@ }, { "@id": "docker://quay.io/biocontainers/thermorawfileparser:1.4.0--ha8f3691_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-thermorawfileparser-1.4.0--ha8f3691_0.img_meta.json" - }, + "name": "biocontainers/thermorawfileparser", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/thermorawfileparser@sha256:76c17e3124b723f271bc3d5cf0555650288676bb1a827bd1bae9bb684444a404" + "softwareVersion": "biocontainers/thermorawfileparser@sha256:76c17e3124b723f271bc3d5cf0555650288676bb1a827bd1bae9bb684444a404", + "tag": "1.4.0--ha8f3691_0" }, { "@id": "containers/veitveit-peptide-shaker-2.2.23--hdfd78af_0.img_meta.json", @@ -1529,17 +1583,21 @@ }, { "@id": "docker://veitveit/peptide-shaker:2.2.23--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/veitveit-peptide-shaker-2.2.23--hdfd78af_0.img_meta.json" - }, + "name": "veitveit/peptide-shaker", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "veitveit/peptide-shaker@sha256:c4ec9fdb396b4bc4881132c0dc78f9b6cd76abbda7a5087e960fd06e5e1102cd" + "softwareVersion": "veitveit/peptide-shaker@sha256:c4ec9fdb396b4bc4881132c0dc78f9b6cd76abbda7a5087e960fd06e5e1102cd", + "tag": "2.2.23--hdfd78af_0" }, { "@id": "containers/quay.io-biocontainers-peptide-shaker-2.2.23--hdfd78af_0.img_meta.json", @@ -1553,17 +1611,21 @@ }, { "@id": "docker://quay.io/biocontainers/peptide-shaker:2.2.23--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-peptide-shaker-2.2.23--hdfd78af_0.img_meta.json" - }, + "name": "biocontainers/peptide-shaker", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/peptide-shaker@sha256:51dbe1485efb713eec9d8a0e6a4e5e834818de21ed4601feed7b891718c5c911" + "softwareVersion": "biocontainers/peptide-shaker@sha256:51dbe1485efb713eec9d8a0e6a4e5e834818de21ed4601feed7b891718c5c911", + "tag": "2.2.23--hdfd78af_0" }, { "@id": "containers/quay.io-biocontainers-flashlfq-1.2.4--hdfd78af_0.img_meta.json", @@ -1577,17 +1639,21 @@ }, { "@id": "docker://quay.io/biocontainers/flashlfq:1.2.4--hdfd78af_0", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-flashlfq-1.2.4--hdfd78af_0.img_meta.json" - }, + "name": "biocontainers/flashlfq", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/flashlfq@sha256:d1654b13f30566096da690a28eae8e8e4f36394bb4b3cca4578c49adc4bad714" + "softwareVersion": "biocontainers/flashlfq@sha256:d1654b13f30566096da690a28eae8e8e4f36394bb4b3cca4578c49adc4bad714", + "tag": "1.2.4--hdfd78af_0" }, { "@id": "containers/quay.io-biocontainers-r-msqrob-0.7.7--r41hdfd78af_1.img_meta.json", @@ -1601,17 +1667,21 @@ }, { "@id": "docker://quay.io/biocontainers/r-msqrob:0.7.7--r41hdfd78af_1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-r-msqrob-0.7.7--r41hdfd78af_1.img_meta.json" - }, + "name": "biocontainers/r-msqrob", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/r-msqrob@sha256:6c74888fad76eda9219757914712d86e2e32f4c751f6e0a8f00be7d19c5c6dd6" + "softwareVersion": "biocontainers/r-msqrob@sha256:6c74888fad76eda9219757914712d86e2e32f4c751f6e0a8f00be7d19c5c6dd6", + "tag": "0.7.7--r41hdfd78af_1" }, { "@id": "containers/quay.io-biocontainers-comet-ms-2021010--h87f3376_1.img_meta.json", @@ -1625,17 +1695,21 @@ }, { "@id": "docker://quay.io/biocontainers/comet-ms:2021010--h87f3376_1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/quay.io-biocontainers-comet-ms-2021010--h87f3376_1.img_meta.json" - }, + "name": "biocontainers/comet-ms", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "quay.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "biocontainers/comet-ms@sha256:d143f6cf56752be58858965b6626e7ab66c1e2b87505e6f6f663112f30fc92a0" + "softwareVersion": "biocontainers/comet-ms@sha256:d143f6cf56752be58858965b6626e7ab66c1e2b87505e6f6f663112f30fc92a0", + "tag": "2021010--h87f3376_1" }, { "@id": "containers/spctools-tpp-version6.1.img_meta.json", @@ -1649,17 +1723,21 @@ }, { "@id": "docker://spctools/tpp:version6.1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/spctools-tpp-version6.1.img_meta.json" - }, + "name": "spctools/tpp", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "spctools/tpp@sha256:0a1026177c691ff7188b80b83e9fe926c7d00ab1da7cbd3c13319945fccc57a6" + "softwareVersion": "spctools/tpp@sha256:0a1026177c691ff7188b80b83e9fe926c7d00ab1da7cbd3c13319945fccc57a6", + "tag": "version6.1" }, { "@id": "containers/wombatp-transproteomic-pipeline-0.24.img_meta.json", @@ -1673,17 +1751,21 @@ }, { "@id": "docker://wombatp/transproteomic-pipeline:0.24", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/wombatp-transproteomic-pipeline-0.24.img_meta.json" - }, + "name": "wombatp/transproteomic-pipeline", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "wombatp/transproteomic-pipeline@sha256:406538cd3f5666a6ef9ddde57a9eb9b0795d96775ae8350244571cd3ae6f5277" + "softwareVersion": "wombatp/transproteomic-pipeline@sha256:406538cd3f5666a6ef9ddde57a9eb9b0795d96775ae8350244571cd3ae6f5277", + "tag": "0.24" }, { "@id": "containers/rocker-tidyverse-4.2.1.img_meta.json", @@ -1697,17 +1779,21 @@ }, { "@id": "docker://rocker/tidyverse:4.2.1", - "@type": "SoftwareApplication", + "@type": [ + "ContainerImage", + "SoftwareApplication" + ], + "additionalType": "DockerImage", "applicationCategory": "https://www.wikidata.org/wiki/Q51294208", - "hasPart": { - "@id": "containers/rocker-tidyverse-4.2.1.img_meta.json" - }, + "name": "rocker/tidyverse", "operatingSystem": "linux", "processorRequirements": "amd64", + "registry": "docker.io", "softwareRequirements": { "@id": "https://apptainer.org/" }, - "softwareVersion": "rocker/tidyverse@sha256:2276cf3f1fa29057a057cb8feb85ebd14310c18aff781696db6656ffa170f302" + "softwareVersion": "rocker/tidyverse@sha256:2276cf3f1fa29057a057cb8feb85ebd14310c18aff781696db6656ffa170f302", + "tag": "4.2.1" }, { "@id": "workflow/nextflow.config", @@ -2178,7 +2264,7 @@ "sha256": "c9b6fc6e4dfa51fc382121663c515d0717b026848459585c169a390560b000e8" }, { - "@id": "#0859a1a2-bcde-47d9-859f-5035d95bccd4", + "@id": "#6fcd2bc5-12fe-4084-a8f7-d4ad676a03b2", "@type": "CreateAction", "actionStatus": { "@id": "http://schema.org/CompletedActionStatus" @@ -2186,6 +2272,65 @@ "agent": { "@id": "https://orcid.org/0000-0002-4806-5140" }, + "containerImage": [ + { + "@id": "docker://wombatp/maxquant-pipeline:dev" + }, + { + "@id": "docker://wombatp/maxquant-pipeline:v0.2" + }, + { + "@id": "docker://wombatp/proline-pipeline:v0.20" + }, + { + "@id": "docker://wombatp/proline-pipeline:v0.18" + }, + { + "@id": "docker://veitveit/searchgui:4.2.9--hdfd78af_0" + }, + { + "@id": "docker://quay.io/biocontainers/searchgui:4.2.9--hdfd78af_0" + }, + { + "@id": "docker://quay.io/biocontainers/polystest:1.3.4--hdfd78af_0" + }, + { + "@id": "https://depot.galaxyproject.org/singularity/maxquant:2.0.3.0--py310hdfd78af_1" + }, + { + "@id": "docker://quay.io/biocontainers/maxquant:2.0.3.0--py310hdfd78af_1" + }, + { + "@id": "docker://computationalproteomics/normalyzerde:1.14.0" + }, + { + "@id": "docker://quay.io/biocontainers/thermorawfileparser:1.4.0--ha8f3691_0" + }, + { + "@id": "docker://veitveit/peptide-shaker:2.2.23--hdfd78af_0" + }, + { + "@id": "docker://quay.io/biocontainers/peptide-shaker:2.2.23--hdfd78af_0" + }, + { + "@id": "docker://quay.io/biocontainers/flashlfq:1.2.4--hdfd78af_0" + }, + { + "@id": "docker://quay.io/biocontainers/r-msqrob:0.7.7--r41hdfd78af_1" + }, + { + "@id": "docker://quay.io/biocontainers/comet-ms:2021010--h87f3376_1" + }, + { + "@id": "docker://spctools/tpp:version6.1" + }, + { + "@id": "docker://wombatp/transproteomic-pipeline:0.24" + }, + { + "@id": "docker://rocker/tidyverse:4.2.1" + } + ], "endTime": "2023-08-31T11:41:04.420914+00:00", "instrument": { "@id": "workflow/main.nf" @@ -2193,7 +2338,7 @@ "name": "Run outputs/_1693481083 of workflow/main.nf", "object": [ { - "@id": "#fd139276-d884-462b-92b0-286e3d82e273" + "@id": "#5e73fb64-963f-4adc-a2f4-0405198d934d" }, { "@id": "https://raw.githubusercontent.com/wombat-p/WOMBAT-Pipelines/51d0be8aa1b22142b1ba09edb5ee4465618e8e05/test_data/exp_design.txt" @@ -2202,73 +2347,73 @@ "@id": "https://raw.githubusercontent.com/wombat-p/WOMBAT-Pipelines/51d0be8aa1b22142b1ba09edb5ee4465618e8e05/test_data/test_params.yml" }, { - "@id": "#dc0ee446-a2ae-4634-809d-dd8a45ab7bcd" + "@id": "#aa0005c9-71df-447d-81d7-8506938c3914" }, { - "@id": "#6e87bf4d-c447-4ce4-9aef-240629e276e4" + "@id": "#75101fd2-6afe-457b-b498-cece068d0533" }, { - "@id": "#e7185a79-519b-49ed-9114-e7f19e7760db" + "@id": "#6375ad33-61d6-4a52-8e4d-839ca142431c" }, { - "@id": "#6b629504-ba36-4429-9cb0-35de7ab97b34" + "@id": "#b069f7d6-1109-4029-9f45-85d99ebb2dac" }, { - "@id": "#e12e760a-5a2a-4b43-96f0-289b6e434690" + "@id": "#3bf65e64-ccc7-438c-99ca-68fc32b45b8a" }, { - "@id": "#feaa407f-f722-464e-81a2-03335fd4580c" + "@id": "#4144d997-e923-4413-8fa1-5da07b15af43" }, { - "@id": "#5f29781e-df3d-41d1-b564-afd49f686b1f" + "@id": "#5138d830-b57f-47b4-9f82-5a3afde2320f" }, { - "@id": "#d828ce61-7700-4333-b74c-c0c43e1aaa79" + "@id": "#546a124e-c05f-40ac-b729-f19a3bbcaa44" }, { - "@id": "#8a9da67d-d97d-4a62-9705-31e68b2754d9" + "@id": "#2fc0e90c-267c-43c3-a24a-8ffdea73e475" }, { - "@id": "#8bd0ec15-e460-4b05-91d9-118d07676b67" + "@id": "#96767573-e382-4c67-8b83-b3be854a0ba5" }, { - "@id": "#b49ee2db-2829-4887-83c4-b33fad727f4b" + "@id": "#0b00d1cb-908f-4e3a-87ba-dbe183c6f6af" }, { - "@id": "#d59e9072-b0c7-41a1-a8a0-ff2bb017e938" + "@id": "#57d5e336-e602-4eda-9d1c-9347e32c4c77" }, { - "@id": "#618b87da-3139-4086-941c-25262b1891cc" + "@id": "#ecdb5073-a59d-41b2-9e2b-8203c5829d0b" }, { - "@id": "#7e3cd855-9194-462f-8eec-49e1f5b37584" + "@id": "#97339b93-2ab1-428a-a43a-0c2a2fea6bfb" }, { - "@id": "#cf71b41f-a3cb-4d5c-ad4e-d74b34274db2" + "@id": "#4e904821-c41e-43f2-a996-5d6899f5715f" }, { - "@id": "#ba7a5fe1-e8b4-45fb-ada3-bad878b4f04c" + "@id": "#c0492779-f368-4afe-a03e-eca0cf3a78c7" }, { - "@id": "#36b02dea-484a-4182-9885-d8ed9ed6cab2" + "@id": "#335b6090-eee7-4a70-af73-44f19fe8c25e" }, { - "@id": "#2fdfd4c4-4c54-491a-8fa0-be3be0f02546" + "@id": "#9c638824-3371-49c9-bf58-528ad0739c8f" }, { - "@id": "#74ede3aa-5b77-4ad6-b96f-bbc7bfbb8b7d" + "@id": "#63df7ee6-fffd-476d-bbd0-7d7335503aee" }, { - "@id": "#45750620-5a2d-4154-99ab-96f31ecbf9c9" + "@id": "#80695a11-2d49-4463-948d-10fea57e0b2b" }, { - "@id": "#3c94decc-0396-432e-bc45-f272dc00129a" + "@id": "#b1b10c9c-29cc-42d6-8a6d-a99866cc2a16" }, { - "@id": "#6f6c9f10-5406-4d8e-b698-941c1b8e8ddf" + "@id": "#5490283b-b4cb-4b5a-83f8-193c092e28bf" }, { - "@id": "#447e547f-771f-4b27-8b11-6ef5ce280619" + "@id": "#1ce118a9-e97e-44bf-b150-ac698cb897f2" }, { "@id": "https://raw.githubusercontent.com/wombat-p/WOMBAT-Pipelines/51d0be8aa1b22142b1ba09edb5ee4465618e8e05/test_data/ABRF_iPRG_2012_target.fasta" @@ -2381,7 +2526,7 @@ "@id": "meta/outputs/_1693481083/stats/dag.dot.png" }, { - "@id": "#c7229564-05f7-4092-a53a-2c57b1a066fb" + "@id": "#9f81b5a7-6ba5-4d75-938d-fa2cb4d3470d" } ], "startTime": "2023-08-31T11:24:43.254962+00:00" @@ -2405,11 +2550,11 @@ "name": "raws", "valueRequired": "True", "workExample": { - "@id": "#fd139276-d884-462b-92b0-286e3d82e273" + "@id": "#5e73fb64-963f-4adc-a2f4-0405198d934d" } }, { - "@id": "#fd139276-d884-462b-92b0-286e3d82e273", + "@id": "#5e73fb64-963f-4adc-a2f4-0405198d934d", "@type": "Collection", "exampleOfWork": { "@id": "workflow/main.nf#param:raws" @@ -2506,11 +2651,11 @@ "name": "run_statistics", "valueRequired": "True", "workExample": { - "@id": "#dc0ee446-a2ae-4634-809d-dd8a45ab7bcd" + "@id": "#aa0005c9-71df-447d-81d7-8506938c3914" } }, { - "@id": "#dc0ee446-a2ae-4634-809d-dd8a45ab7bcd", + "@id": "#aa0005c9-71df-447d-81d7-8506938c3914", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:run_statistics" @@ -2528,11 +2673,11 @@ "name": "add_decoys", "valueRequired": "True", "workExample": { - "@id": "#6e87bf4d-c447-4ce4-9aef-240629e276e4" + "@id": "#75101fd2-6afe-457b-b498-cece068d0533" } }, { - "@id": "#6e87bf4d-c447-4ce4-9aef-240629e276e4", + "@id": "#75101fd2-6afe-457b-b498-cece068d0533", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:add_decoys" @@ -2559,11 +2704,11 @@ "name": "comps", "valueRequired": "True", "workExample": { - "@id": "#e7185a79-519b-49ed-9114-e7f19e7760db" + "@id": "#6375ad33-61d6-4a52-8e4d-839ca142431c" } }, { - "@id": "#e7185a79-519b-49ed-9114-e7f19e7760db", + "@id": "#6375ad33-61d6-4a52-8e4d-839ca142431c", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:comps" @@ -2581,11 +2726,11 @@ "name": "proline_engine", "valueRequired": "True", "workExample": { - "@id": "#6b629504-ba36-4429-9cb0-35de7ab97b34" + "@id": "#b069f7d6-1109-4029-9f45-85d99ebb2dac" } }, { - "@id": "#6b629504-ba36-4429-9cb0-35de7ab97b34", + "@id": "#b069f7d6-1109-4029-9f45-85d99ebb2dac", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:proline_engine" @@ -2603,11 +2748,11 @@ "name": "workflow", "valueRequired": "True", "workExample": { - "@id": "#e12e760a-5a2a-4b43-96f0-289b6e434690" + "@id": "#3bf65e64-ccc7-438c-99ca-68fc32b45b8a" } }, { - "@id": "#e12e760a-5a2a-4b43-96f0-289b6e434690", + "@id": "#3bf65e64-ccc7-438c-99ca-68fc32b45b8a", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:workflow" @@ -2643,11 +2788,11 @@ "name": "max_multiqc_email_size", "valueRequired": "True", "workExample": { - "@id": "#feaa407f-f722-464e-81a2-03335fd4580c" + "@id": "#4144d997-e923-4413-8fa1-5da07b15af43" } }, { - "@id": "#feaa407f-f722-464e-81a2-03335fd4580c", + "@id": "#4144d997-e923-4413-8fa1-5da07b15af43", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:max_multiqc_email_size" @@ -2665,11 +2810,11 @@ "name": "outdir", "valueRequired": "True", "workExample": { - "@id": "#5f29781e-df3d-41d1-b564-afd49f686b1f" + "@id": "#5138d830-b57f-47b4-9f82-5a3afde2320f" } }, { - "@id": "#5f29781e-df3d-41d1-b564-afd49f686b1f", + "@id": "#5138d830-b57f-47b4-9f82-5a3afde2320f", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:outdir" @@ -2687,11 +2832,11 @@ "name": "tracedir", "valueRequired": "True", "workExample": { - "@id": "#d828ce61-7700-4333-b74c-c0c43e1aaa79" + "@id": "#546a124e-c05f-40ac-b729-f19a3bbcaa44" } }, { - "@id": "#d828ce61-7700-4333-b74c-c0c43e1aaa79", + "@id": "#546a124e-c05f-40ac-b729-f19a3bbcaa44", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:tracedir" @@ -2709,11 +2854,11 @@ "name": "publish_dir_mode", "valueRequired": "True", "workExample": { - "@id": "#8a9da67d-d97d-4a62-9705-31e68b2754d9" + "@id": "#2fc0e90c-267c-43c3-a24a-8ffdea73e475" } }, { - "@id": "#8a9da67d-d97d-4a62-9705-31e68b2754d9", + "@id": "#2fc0e90c-267c-43c3-a24a-8ffdea73e475", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:publish_dir_mode" @@ -2749,11 +2894,11 @@ "name": "plaintext_email", "valueRequired": "True", "workExample": { - "@id": "#8bd0ec15-e460-4b05-91d9-118d07676b67" + "@id": "#96767573-e382-4c67-8b83-b3be854a0ba5" } }, { - "@id": "#8bd0ec15-e460-4b05-91d9-118d07676b67", + "@id": "#96767573-e382-4c67-8b83-b3be854a0ba5", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:plaintext_email" @@ -2771,11 +2916,11 @@ "name": "monochrome_logs", "valueRequired": "True", "workExample": { - "@id": "#b49ee2db-2829-4887-83c4-b33fad727f4b" + "@id": "#0b00d1cb-908f-4e3a-87ba-dbe183c6f6af" } }, { - "@id": "#b49ee2db-2829-4887-83c4-b33fad727f4b", + "@id": "#0b00d1cb-908f-4e3a-87ba-dbe183c6f6af", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:monochrome_logs" @@ -2793,11 +2938,11 @@ "name": "help", "valueRequired": "True", "workExample": { - "@id": "#d59e9072-b0c7-41a1-a8a0-ff2bb017e938" + "@id": "#57d5e336-e602-4eda-9d1c-9347e32c4c77" } }, { - "@id": "#d59e9072-b0c7-41a1-a8a0-ff2bb017e938", + "@id": "#57d5e336-e602-4eda-9d1c-9347e32c4c77", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:help" @@ -2815,11 +2960,11 @@ "name": "validate_params", "valueRequired": "True", "workExample": { - "@id": "#618b87da-3139-4086-941c-25262b1891cc" + "@id": "#ecdb5073-a59d-41b2-9e2b-8203c5829d0b" } }, { - "@id": "#618b87da-3139-4086-941c-25262b1891cc", + "@id": "#ecdb5073-a59d-41b2-9e2b-8203c5829d0b", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:validate_params" @@ -2837,11 +2982,11 @@ "name": "show_hidden_params", "valueRequired": "True", "workExample": { - "@id": "#7e3cd855-9194-462f-8eec-49e1f5b37584" + "@id": "#97339b93-2ab1-428a-a43a-0c2a2fea6bfb" } }, { - "@id": "#7e3cd855-9194-462f-8eec-49e1f5b37584", + "@id": "#97339b93-2ab1-428a-a43a-0c2a2fea6bfb", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:show_hidden_params" @@ -2859,11 +3004,11 @@ "name": "enable_conda", "valueRequired": "True", "workExample": { - "@id": "#cf71b41f-a3cb-4d5c-ad4e-d74b34274db2" + "@id": "#4e904821-c41e-43f2-a996-5d6899f5715f" } }, { - "@id": "#cf71b41f-a3cb-4d5c-ad4e-d74b34274db2", + "@id": "#4e904821-c41e-43f2-a996-5d6899f5715f", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:enable_conda" @@ -2881,11 +3026,11 @@ "name": "schema_ignore_params", "valueRequired": "True", "workExample": { - "@id": "#ba7a5fe1-e8b4-45fb-ada3-bad878b4f04c" + "@id": "#c0492779-f368-4afe-a03e-eca0cf3a78c7" } }, { - "@id": "#ba7a5fe1-e8b4-45fb-ada3-bad878b4f04c", + "@id": "#c0492779-f368-4afe-a03e-eca0cf3a78c7", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:schema_ignore_params" @@ -2912,11 +3057,11 @@ "name": "custom_config_version", "valueRequired": "True", "workExample": { - "@id": "#36b02dea-484a-4182-9885-d8ed9ed6cab2" + "@id": "#335b6090-eee7-4a70-af73-44f19fe8c25e" } }, { - "@id": "#36b02dea-484a-4182-9885-d8ed9ed6cab2", + "@id": "#335b6090-eee7-4a70-af73-44f19fe8c25e", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:custom_config_version" @@ -2934,11 +3079,11 @@ "name": "custom_config_base", "valueRequired": "True", "workExample": { - "@id": "#2fdfd4c4-4c54-491a-8fa0-be3be0f02546" + "@id": "#9c638824-3371-49c9-bf58-528ad0739c8f" } }, { - "@id": "#2fdfd4c4-4c54-491a-8fa0-be3be0f02546", + "@id": "#9c638824-3371-49c9-bf58-528ad0739c8f", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:custom_config_base" @@ -2956,11 +3101,11 @@ "name": "config_profile_description", "valueRequired": "True", "workExample": { - "@id": "#74ede3aa-5b77-4ad6-b96f-bbc7bfbb8b7d" + "@id": "#63df7ee6-fffd-476d-bbd0-7d7335503aee" } }, { - "@id": "#74ede3aa-5b77-4ad6-b96f-bbc7bfbb8b7d", + "@id": "#63df7ee6-fffd-476d-bbd0-7d7335503aee", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:config_profile_description" @@ -2996,11 +3141,11 @@ "name": "config_profile_name", "valueRequired": "True", "workExample": { - "@id": "#45750620-5a2d-4154-99ab-96f31ecbf9c9" + "@id": "#80695a11-2d49-4463-948d-10fea57e0b2b" } }, { - "@id": "#45750620-5a2d-4154-99ab-96f31ecbf9c9", + "@id": "#80695a11-2d49-4463-948d-10fea57e0b2b", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:config_profile_name" @@ -3018,11 +3163,11 @@ "name": "max_memory", "valueRequired": "True", "workExample": { - "@id": "#3c94decc-0396-432e-bc45-f272dc00129a" + "@id": "#b1b10c9c-29cc-42d6-8a6d-a99866cc2a16" } }, { - "@id": "#3c94decc-0396-432e-bc45-f272dc00129a", + "@id": "#b1b10c9c-29cc-42d6-8a6d-a99866cc2a16", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:max_memory" @@ -3040,11 +3185,11 @@ "name": "max_cpus", "valueRequired": "True", "workExample": { - "@id": "#6f6c9f10-5406-4d8e-b698-941c1b8e8ddf" + "@id": "#5490283b-b4cb-4b5a-83f8-193c092e28bf" } }, { - "@id": "#6f6c9f10-5406-4d8e-b698-941c1b8e8ddf", + "@id": "#5490283b-b4cb-4b5a-83f8-193c092e28bf", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:max_cpus" @@ -3062,11 +3207,11 @@ "name": "max_time", "valueRequired": "True", "workExample": { - "@id": "#447e547f-771f-4b27-8b11-6ef5ce280619" + "@id": "#1ce118a9-e97e-44bf-b150-ac698cb897f2" } }, { - "@id": "#447e547f-771f-4b27-8b11-6ef5ce280619", + "@id": "#1ce118a9-e97e-44bf-b150-ac698cb897f2", "@type": "PropertyValue", "exampleOfWork": { "@id": "workflow/main.nf#param:max_time" @@ -5294,7 +5439,7 @@ "sha256": "d1cdb9dfb412f4a48231a1adcd63470684425d3983781c2c9f3522e75cfb366b" }, { - "@id": "#99f1cebe-a345-4b7a-b49d-934ac8509df5", + "@id": "#b52d0c32-cb1b-4f42-b63d-f75909d06edd", "@type": "CreateAction", "actionStatus": { "@id": "http://schema.org/CompletedActionStatus" @@ -5315,7 +5460,7 @@ } }, { - "@id": "#c7229564-05f7-4092-a53a-2c57b1a066fb", + "@id": "#9f81b5a7-6ba5-4d75-938d-fa2cb4d3470d", "@type": "Collection", "hasPart": [ {