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Use when when constructing a sample list from an Excel template for LC/GC-MS analysis, you must classify each QC sample by type before proceeding to plate layout and randomization steps.
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| name | qc-sample-type-classification |
| description | Use when when constructing a sample list from an Excel template for LC/GC-MS analysis, you must classify each QC sample by type before proceeding to plate layout and randomization steps. |
| license | CC-BY-4.0 |
| metadata | {"edam_operation":"http://edamontology.org/operation_3763","edam_topics":["http://edamontology.org/topic_0091","http://edamontology.org/topic_3370"],"tools":["InjectionDesign","pandas or openpyxl"],"techniques":["GC-MS"]} |
| derived_from | [{"doi":"10.1101/2023.02.26.530140v1.article-info","title":"InjectionDesign"}] |
| evidence_spans | ["LC/GC-MS-based Multi-Omics Injection-Plate Design Web Service"] |
| claims | [] |
| provenance | {"collection":"https://w3id.org/holobiomicslab/asb-skill/collection/metabolomics/v2","assembled_by":"scripts/collect_metabolomics_collection.py","sources":[{"build":"coll_injectiondesign_cq","doi":"10.1101/2023.02.26.530140v1.article-info","title":"InjectionDesign"}],"dedup_kept_from":"coll_injectiondesign_cq"} |
| schema_version | 0.2.0 |
| attribution | {"generator":"AgenticScienceBuilder","original_doi":"10.1101/2023.02.26.530140v1.article-info","all_source_dois":["10.1101/2023.02.26.530140v1.article-info"],"zenodo_doi":"10.5281/zenodo.20794027","curators":[],"promoter":"Louis-Félix Nothias","sponsor":"CNRS & Université Côte d'Azur"} |
Classify and designate quality control samples into predefined types (Blank QC, Solvent QC, Pooled QC, Long-Term Reference QC, or custom QC) within a sample list prior to injection-plate design. This classification enables systematic QC positioning and visual differentiation across LC/GC-MS injection sequences.
When constructing a sample list from an Excel template for LC/GC-MS analysis, you must classify each QC sample by type before proceeding to plate layout and randomization steps. Use this skill when you have a structured sample list with sample identifiers and metadata but QC samples lack explicit type assignments that the injection design algorithm requires.
After parsing the uploaded sample Excel template into a structured sample list (task_id=task_001), examine each sample row and assign a QC type designation from the five predefined categories: Blank QC (solvent or matrix blank), Solvent QC (solvent control), Pooled QC (pooled biological sample), Long-Term Reference QC (stability reference), or custom QC (user-defined). Mark each QC sample with its type in the sample metadata record. The system uses these type assignments to color-code QC samples in the visualization and to apply QC-specific positioning rules during inter-batch balancing in Step 3. Classification must occur before the Design Parameters step, as it determines how the algorithm reserves plate positions and applies balancing constraints.
