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What an AI can do with Chromascope

Chromascope can be driven by an AI assistant. You keep working in the Chromascope window; the assistant does the clicking you would otherwise do, by sending commands over a standard called MCP (Model Context Protocol). You say what you want in plain words, the assistant picks the steps, and Chromascope does the numerical work and shows the result in your window.

Four things stay true however you use it:

  • Chromascope contains no AI. The assistant is a separate program of your choice (for example Claude Desktop). It reasons; Chromascope calculates. Every area, every calibration and every QC verdict is computed by the same code that the buttons use, so a number from the assistant is the number you get by clicking.
  • You decide what the assistant may do. When you start the program you give it permissions with launch flags. With none, the assistant can only look at files inside the folders you name.
  • Everything is recorded. The status bar of the chromascope-mcp window says AI connected with the number of requests. The link View log opens the AI call log, which lists every call with its exact request, as it happens. The log lasts only while the window is open; for a permanent record ask the assistant for session_audit or prepare_analysis_report.
  • The assistant proposes, you approve. Ask it to propose a change instead of making it, and the proposal appears in your window under Audit package, Review AI proposals, with its reason and evidence. Only your click on Approve changes a result. See Reviewing AI proposals.

Two programs

Program Window Use it for
chromascope-mcp Yes, the normal Chromascope window Everyday work. You watch the assistant work, and its results appear in the Quantification and QC tab. 74 tools.
chromascope-engine-mcp No Scripts, servers and computers without a screen. 14 tools, the calculation tools only.

Both come with every installer. See Setup.

The permission flags in one table

Flag What it allows
(none, only --allow-root) Look: open files inside the named folders, extract traces, read spectra, preview integrations, read results. Nothing in the window changes.
--allow-changes Change what is in the window: select, zoom, lay out, apply integrations, run a batch, open methods, sessions and projects, change preferences.
--allow-exports Write new files: figures, CSV tables, methods, sessions, batches, presets, audit packages. Existing files are never overwritten.
--allow-project-writes Create projects, save revisions, keep review proposals in a project, approve and commit review proposals stored in a project.

A proposal needs none of the last three flags: showing a proposal changes no result, and approving it in the window is your own action.

--allow-root is needed for everything: it names the folders the assistant may use, and nothing outside them can be read or written. Details and recommendations are in Setup.

What the assistant can do, by task

The last column says which launch flag the tool needs. "read" means --allow-root alone. A tool with two entries needs the second one only for the extra effect named.

Open and inspect data

The assistant can Tools Flag
list the mzML files in a folder (and vendor data if asked) list_mzml_files, discover_datasets read
open up to 64 files; vendor files are converted with your msconvert open_files read
list the open datasets and describe the whole state of the window list_datasets, gui_state read
read scan count, ranges, filters and stored chromatograms of a file dataset_metadata read
page through scans and read the full metadata of one scan list_scans, scan_metadata read
make a dataset the active one select_dataset --allow-changes

Chromatograms and spectra

The assistant can Tools Flag
extract a TIC, base peak or extracted-ion chromatogram, or show a stored SRM/MRM trace extract_chromatogram read; --allow-changes to show it in the window
read the points of the extracted trace chromatogram_data read
read a mass spectrum by scan number or retention time spectrum read; --allow-changes to show it
look at the plots as pictures chromatogram_image, spectrum_image read
zoom, change the layout, show or hide panels, change colours and scaling set_view, set_layout, set_display --allow-changes
show or hide datasets and traces, keep a trace, choose or delete one set_visibility, set_trace_visibility, retain_trace, select_trace, remove_trace --allow-changes
clear the spectrum panel or the shared batch preset clear_display --allow-changes

Integration

The assistant can Tools Flag
calculate the area of a peak between two times without recording it (a preview) integrate read
record that integration in the window integrate with apply --allow-changes
undo the last integration, delete a measurement, clear the markers undo_integration, remove_measurement, clear_integration --allow-changes
list the recorded measurements measurements read
save the measurements as a CSV file export_measurements --allow-exports

Batch quantification and review

The assistant can Tools Flag
run a method over many samples start_quantification --allow-changes
follow the progress, read every result and the trace behind a peak quantification_status, quantification_trace read
correct the boundaries of a result, restore the automatic peak, stop the batch review_quantification, reset_quantification, cancel_quantification --allow-changes
propose new boundaries for a result, with a reason and evidence, instead of applying them (you approve in the window) review_quantification with propose read
save the batch results as a CSV file export_quantification --allow-exports

Calibration, concentrations and QC

These use the shared analysis engine. The assistant starts a job with start_analysis, follows it, and reads the stored result page by page. With --allow-changes a finished calibration or QC study also appears in the Quantification and QC tab; without it the result stays with the assistant and the window does not show it.

The assistant can Tools Flag
read the full list of engine operations, their units and the six workflow recipes analysis_capabilities read
start a calibration, quantification or QC job, follow it, read it and cancel it start_analysis, analysis_status, analysis_result, cancel_analysis read
prepare a suggested correction for you to review (nothing is changed; it appears in your window under Review AI proposals) prepare_review_proposal read
read what the assistant did in this session, and prepare a report of it session_audit, prepare_analysis_report read
save calibration or QC results as a file export_results --allow-exports
load saved calibration runs and QC reports import_results --allow-changes
switch the window to the tab, and the stage, where you can see the result show_workspace --allow-changes

Figures and exports

The assistant can Tools Flag
save the trace or the spectrum as a CSV file export_csv --allow-exports
save the visible chromatogram or the spectrum as an SVG figure export_figure --allow-exports
save measurements, batch results, calibration or QC tables export_measurements, export_quantification, export_results --allow-exports
do several of the steps above in one call (not a transaction) batch each step needs its own tool's flag

Sessions, presets and methods

The assistant can Tools Flag
list and read preset and method files list_presets, get_preset read
write a new preset or method file save_preset, save_method --allow-exports
apply a preset to the open datasets, or make a method file the method of the tab apply_preset, open_method --allow-changes
save the viewer workspace or the batch as a new file save_session, save_batch --allow-exports
load a saved workspace or batch, replacing the current one load_session, load_batch --allow-changes

Projects and audit packages

The assistant can Tools Flag
read an existing project and prepare a report draft from it (nothing is written) inspect_project, export_project_report read
open a project in the window, or reload it open_project, refresh_project --allow-changes
create a project, or save a new revision create_project, save_project --allow-project-writes
build an audit package in a new folder build_bundle --allow-exports
check a package, or recompute a stored result and compare it verify_bundle, reprocess_result read
keep a review proposal in a project so it can be reviewed later (also in chromascope.exe), approve or reject one that is stored in a project, commit a job to a project queue_review_proposal, resolve_review_proposal, commit_analysis --allow-project-writes

Settings

The assistant can Tools Flag
read the preferences, whether the daily update check is on, and whether a newer version exists get_settings read
change the theme, interface size, m/z decimals or the update check set_settings --allow-changes

What the assistant cannot do, on purpose

  • Choose the msconvert program. Picking the executable that converts vendor files decides which program Chromascope runs. That is the operator's decision (the environment variable CHROMASCOPE_MSCONVERT or the window's menu), never an assistant's. open_files and list_mzml_files only report whether a converter is configured.
  • Mark a peak as reviewed by a human. review_quantification can correct boundaries, but it refuses to set the reviewed state. Only you can press ✓ Accept peak, so a reviewed peak always means a person looked at it.
  • Approve its own proposal in your window. The buttons Approve and Reject exist only in the window. A proposal appears there through a private route that only a proposal the program itself made can use.
  • Turn a failing QC rule into a pass. An acknowledgement records a reason; the verdict stays.
  • Touch anything outside the --allow-root folders. Paths are resolved before they are used, so .. and shortcuts cannot escape. Without a root nothing can be opened.
  • Overwrite a file. Exports create new files only.
  • Put a result into the window by itself. Calibration and QC results reach the window through a private route that only a finished engine job uses. Proposals reach the review list the same way.
  • Run a shell, or use the network.
  • Use unfinished workflows. Identification, untargeted analysis and statistics are hidden in the standard build.

Fewer tools for clients that cap them

Some clients accept only about 40 tools. Start chromascope-mcp with --tool-profile core and it lists only 40 tools for the main workflows. A call to any other tool is refused with a message that names the flag to use. These tools are not in the core profile:

  • scan_metadata, discover_datasets
  • set_layout, set_display, set_visibility, set_trace_visibility, select_trace, retain_trace, remove_trace, clear_display
  • remove_measurement, clear_integration
  • cancel_quantification
  • import_results
  • list_presets, get_preset, save_preset, apply_preset, save_method, open_method
  • save_session, load_session, save_batch, load_batch
  • get_settings, set_settings
  • refresh_project, reprocess_result, inspect_project, export_project_report
  • prepare_analysis_report, session_audit
  • queue_review_proposal, resolve_review_proposal

Use the default full profile unless your client has a limit.

Next

Setup, then example prompts. To let an assistant suggest changes that you approve yourself, read Reviewing AI proposals.