Manual contents
AcquiLAB manual
How to use every part of AcquiLAB: analysing instrument data, making figures, choosing the next experiment with Bayesian optimization, running simulations, keeping references, writing documents, and working with the Assistant or your own AI agent.
Chapters
- Chapter 1Getting startedProjects and workspaces, the sidebar, the project overview, Data and what AcquiLAB asks before it runs anything.
- Chapter 2AnalyzeFrom an instrument file to a result with units and uncertainties: techniques, methods, options and what to do when a run fails.
- Chapter 3Plot Studio and Figure StudioThe workbook and graph editor for publication figures, multi-panel figures and vector export.
- Chapter 4Optimize (Bayesian optimization)How Bayesian optimization chooses the next experiment, the engines and acquisition functions, and how to run, check and stop a campaign.
- Chapter 5SimulateReady-made physics and chemistry models, models you write as rate equations or formulas, fitting to data and simulation in the BO loop.
- Chapter 6Library and Zotero syncOne personal reference library across your projects: adding, organising, verifying, de-duplicating and exporting references, and two-way Zotero sync.
- Chapter 7Notebook and DocumentsThe project's running record, documents built from it, citations of papers and results, the number check and exports to Word and LaTeX.
- Chapter 8Assistant, MCP connector and connected agentsThe project-aware Assistant, connecting your own AI agent through the MCP connector, the permissions and run limits you give it, and the tools it can call.
- Chapter 9Plans, runs, credits and settingsPlans and prices, what runs and credits pay for, limits, graph preferences, account settings and the basics of data and privacy.
Index
- Acquisition function · Optimize
- Advanced BO (BoTorch) · Optimize
- AFM roughness · Analyze
- Agent permissions · Assistant and agents
- Assistant · Assistant and agents
- Assistant credits · Plans, runs and settings
- Baseline correction · Analyze
- Batch experiments · Optimize
- BET surface area · Analyze
- Bibliography (reference list) · Notebook and Documents
- BibTeX, RIS and CSL-JSON · Library
- Calibration curve · Analyze
- Cantera · Simulate
- Categorical parameters · Optimize
- Chromatogram peaks · Analyze
- Citation styles · Notebook and Documents
- Citing results · Notebook and Documents
- Collections and tags · Library
- Connected agents · Assistant and agents
- Constraints (linear) · Optimize
- Custom ODE · Simulate
- Cyclic voltammetry · Analyze
- Data page · Getting started
- Delete your account · Plans, runs and settings
- DFT (PySCF) · Simulate
- Documents · Notebook and Documents
- Download your data · Plans, runs and settings
- Duplicates and merge · Library
- Expected improvement (EI) · Optimize
- Export a document · Notebook and Documents
- Failed analysis · Analyze
- Figure Studio · Plot Studio and figures
- Fit to data · Simulate
- Formula models (custom_algebraic) · Simulate
- FTIR and Raman bands · Analyze
- Graph preferences · Plans, runs and settings
- Import past results · Optimize
- Improved model · Optimize
- Log scale of the result · Optimize
- MCP connector · Assistant and agents
- MCP tools · Assistant and agents
- Model check · Optimize
- Molecular dynamics (OpenMM) · Simulate
- Multi-objective BO (MOBO) · Optimize
- NMR, qNMR and J couplings · Analyze
- Notebook · Notebook and Documents
- Outcome limits · Optimize
- Overview · Getting started
- Particles and porosity in images · Analyze
- Plan first · Assistant and agents
- Plans and prices · Plans, runs and settings
- Plot Studio · Plot Studio and figures
- Retracted papers · Library
- Runs · Plans, runs and settings
- Simulation in the BO loop · Simulate
- Simulation models · Simulate
- Switch model · Optimize
- Upper confidence bound (UCB) · Optimize
- Verification of references · Library
- Written-model optimization · Simulate
- XRD peaks and phase identification · Analyze
- xTB (tblite) · Simulate
- Zotero sync · Library