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tschoonj

xraylib MCP Server

by tschoonj

CSb_Total_CP

Compute the total cross section (barn/atom) for a chemical compound at a given photon energy in keV.

Instructions

Calculate the total cross section of a compound (barn/atom).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
EYes
compoundYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior2/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

With no annotations, the description carries full burden but only states the basic calculation. It does not disclose constraints (e.g., compound must be in a database, energy range limits), error handling, or side effects. The behavior is opaque beyond the stated function.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is extremely concise: a single sentence followed by a parameter list. Every word provides value, and the structure is front-loaded with the core purpose.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness2/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Despite having an output schema, the description lacks context for a domain with many siblings. It does not explain what the 'b' or 'CP' mean, nor when to prefer this over other cross-section tools. The unit 'barn/atom' is mentioned but not elaborated.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 0%, so the description compensates marginally. 'compound' is clarified with examples ('SiO2', 'H2O'), and 'E' is explained as 'Photon energy in keV'. However, no additional syntax or constraints are provided beyond the schema types.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the action ('Calculate the total cross section of a compound') and specifies the output unit (barn/atom). It differentiates from siblings by explicitly mentioning 'compound', which aligns with the 'CP' suffix and distinguishes it from element-only cross-section tools like CS_Total.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

No guidance is provided on when to use this tool versus the many sibling tools (e.g., CS_Total_CP, CSb_Total). The description does not explain the significance of the 'b' prefix or 'CP' suffix, leaving the agent without context for selection.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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