{"id":25164067,"url":"https://github.com/jwt218/isonq","last_synced_at":"2025-04-03T15:27:51.509Z","repository":{"id":276551277,"uuid":"926232322","full_name":"jwt218/IsoNQ","owner":"jwt218","description":"MATLAB package for Qtegra-generated data file processing.","archived":false,"fork":false,"pushed_at":"2025-02-09T00:00:00.000Z","size":0,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-02-09T00:24:46.596Z","etag":null,"topics":["data-analysis","geochemistry","isotopes","matlab"],"latest_commit_sha":null,"homepage":"","language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/jwt218.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"License","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2025-02-02T21:13:45.000Z","updated_at":"2025-02-09T00:03:06.000Z","dependencies_parsed_at":"2025-02-09T00:25:14.276Z","dependency_job_id":"dcbdc360-13b3-4121-ac1e-57ea503cb609","html_url":"https://github.com/jwt218/IsoNQ","commit_stats":null,"previous_names":["jwt218/isonq"],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jwt218%2FIsoNQ","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jwt218%2FIsoNQ/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jwt218%2FIsoNQ/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jwt218%2FIsoNQ/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/jwt218","download_url":"https://codeload.github.com/jwt218/IsoNQ/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":247026770,"owners_count":20871433,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["data-analysis","geochemistry","isotopes","matlab"],"created_at":"2025-02-09T04:18:08.249Z","updated_at":"2025-04-03T15:27:51.498Z","avatar_url":"https://github.com/jwt218.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"## IsoNQ: A Standardized Workflow for CSIA-IRMS Processing\nIsoNQ is an open-source MATLAB package for processing compound-specific isotope analysis (CSIA) data from GC-IRMS. It provides a standardized workflow that includes drift correction, size normalization, scale correction, and uncertainty propagation, ensuring reproducibility and comparability across datasets.\n\nThis repository contains the MATLAB functions, tutorial, and example data used to apply IsoNQ to _n_-alkane isotope measurements. The approach behind IsoNQ is described in detail in:\n\n📄 [Paper in review]\n\nFor a step-by-step tutorial, see:\n📖 IsoNQ_tutorial.m\n\n## Key Features \u0026 Methodology\nIsoNQ implements several improvements over traditional CSIA-IRMS processing workflows. The major components include:\n\n1️⃣ Drift Correction\n\nTwo options available:\n- Compound-Specific Drift Correction ('CompoundSpecific') (Default)\n- Global Drift Correction ('GlobalDrift')\n\nWhy It Matters: Traditional drift correction assumes all compounds drift uniformly, but in reality, different analytes can exhibit different drift patterns. IsoNQ allows individualized drift corrections per compound, reducing systematic bias.\n\n2️⃣ Scale Correction\n\nTwo options available:\n- Regression-Based Scale Correction ('Regression') (Default)\n- Two-Point Scale Correction ('TwoPoint')\n\nWhy It Matters: Traditional two-point scaling methods can introduce instability when reference standards exhibit high variability. IsoNQ’s regression-based approach uses all available standard compounds, ensuring a more stable and accurate correction.\n\n3️⃣ Outlier Detection \u0026 Handling\n\nConfigurable methods for outlier removal before correction:\n- 'mad' (Median Absolute Deviation, default)\n- 'zscore' (Removes values \u003e3 standard deviations)\n- 'iqr' (Interquartile Range)\n- 'grubbs' (Detects single extreme outliers)\n- 'none' (No outlier removal)\n\nWhy It Matters: Unfiltered extreme values can distort correction factors. IsoNQ allows for flexible outlier detection methods to improve data quality.\n\n4️⃣ Uncertainty Propagation\n\nIsoNQ propagates uncertainties from multiple sources:\nInstrumental precision (repeatability)\n- Drift correction uncertainty\n- Size correction uncertainty\n- Scale correction uncertainty\n- Sample measurement uncertainty\n- Reference gas uncertainty\n  \nWhy It Matters: Many CSIA-IRMS studies underestimate uncertainty by considering only instrumental error. IsoNQ integrates correction-based errors, producing more accurate confidence estimates.\n\n5️⃣ Parameter Logging for Reproducibility\n\nWhen enabled ('LogParams', 'yes'), IsoNQ saves all input parameters to a timestamped log file (output/logs/).\n\nWhy It Matters: Ensures full reproducibility of processing settings, useful for method comparisons, debugging, and publication records.\n\n## How to Get Started\n\n1️⃣ Download IsoNQ\nClone this repository or download the package manually.\n\n2️⃣ Follow the tutorial\nSee 📖 IsoNQ_tutorial.m for detailed instructions.\n\n3️⃣ Run the workflow\nUse infoQ to set parameters and processQ to run the pipeline.\n\n🔗 Citation \u0026 References\nIf you use IsoNQ in your research, please cite:\n📄 [Paper in review]\n\nFor more details on the methodology and validation, refer to the manuscript.\n\n👥 Contributors \u0026 Contact\nIsoNQ is developed and maintained by Julian Traphagan. If you have any questions, issues, or suggestions, feel free to open an issue on GitHub or reach out at jtraph1@lsu.edu.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjwt218%2Fisonq","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fjwt218%2Fisonq","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjwt218%2Fisonq/lists"}