No description
  • HTML 99.8%
  • Shell 0.2%
Find a file
Repository files (latest commit first)
Filename Latest commit message Latest commit date
Felix Hoffstaedter 87beb99928 [DATALAD RUNCMD] run MRIQC classifier
=== Do not change lines below ===
{
 "chain": [],
 "cmd": "./code/containers/scripts/singularity_cmd exec code/containers/images/bids/bids-mriqc--0.15.1.sing mriqc_clf --load-classifier -X group_T1w.tsv;   mv mclf_run*data-unseen_pred.csv mclf_data-unseen_pred.csv",
 "dsid": "0077678a-a2c1-456e-b8ee-0bcfaf7a5353",
 "exit": 0,
 "extra_inputs": [
  "code/containers/images/bids/bids-mriqc--0.15.1.sing"
 ],
 "inputs": [
  "group_T1w.tsv"
 ],
 "outputs": [],
 "pwd": "."
}
^^^ Do not change lines above ^^^
2026-06-02 05:36:51 +02:00
.datalad [DATALAD RUNCMD] Remove datalad-get option and do singularity exec instead of run 2026-04-01 00:41:46 +02:00
code SLURM submission setup 2026-04-01 00:41:56 +02:00
duct-logs Merge results 2026-06-02 05:02:53 +02:00
sourcedata Register ds002006 BIDS dataset as input 2026-04-01 00:41:51 +02:00
sub-03 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30 move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33 move data to dataset root 2026-06-02 05:03:11 +02:00
.bidsignore move data to dataset root 2026-06-02 05:03:11 +02:00
.gitattributes keep non-binary files in git 2026-04-01 00:41:35 +02:00
.gitignore SLURM submission setup 2026-04-01 00:41:56 +02:00
.gitmodules Register ds002006 BIDS dataset as input 2026-04-01 00:41:51 +02:00
CHANGELOG.md Apply YODA dataset setup 2026-04-01 00:41:34 +02:00
dataset_description.json move data to dataset root 2026-06-02 05:03:11 +02:00
group_bold.html [DATALAD RUNCMD] Compute MRIQC group stats 2026-06-02 05:36:25 +02:00
group_bold.tsv [DATALAD RUNCMD] Compute MRIQC group stats 2026-06-02 05:36:25 +02:00
group_T1w.html [DATALAD RUNCMD] Compute MRIQC group stats 2026-06-02 05:36:25 +02:00
group_T1w.tsv [DATALAD RUNCMD] Compute MRIQC group stats 2026-06-02 05:36:25 +02:00
mclf_data-unseen_pred.csv [DATALAD RUNCMD] run MRIQC classifier 2026-06-02 05:36:51 +02:00
README.md add README with Acknowledgements 2026-04-01 00:41:35 +02:00
sub-03_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-03_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-04_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-05_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-06_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-07_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-14_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-15_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-18_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-19_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-20_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-22_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-24_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-25_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-27_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-29_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-30_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_T1w.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-ColorDots_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-ColorDots_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-ColorDots_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-FoodChoice_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-FoodChoice_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-FoodChoice_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-Memory_run-01_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-Memory_run-02_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-Memory_run-03_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00
sub-33_task-Memory_run-04_bold.html move data to dataset root 2026-06-02 05:03:11 +02:00

ds002006 - MRIQC derivatives

This dataset is a BIDS Derivatives dataset resulting from running MRIQC 24.0.2 on ds002006.

Methods

MRIQC documentation can be found on https://mriqc.readthedocs.io/.

This dataset was created using BOOTSTRAP - a high-throughput container workflow for MRIQC implementing the FAIRly Big Workflow using Datalad and Singularity containers for full reproducibility and provenance capture including resource consumption via con-duct.

Acknowledgements

The authors from the Institute of Neuroscience and Medicine (INM-7) at the Forschungszentrum Jülich, Germany gratefully acknowledge the FENIX Research Infrastructure for funding this project by providing cloud computing time on the FZJ Supercomputer JUSUF at Jülich Supercomputing Centre (JSC).