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xraylib MCP Server

by tschoonj

Server Configuration

Describes the environment variables required to run the server.

NameRequiredDescriptionDefault

No arguments

Instructions

Guidance the server publishes about itself, which clients place ahead of the tool catalog so the model reads it before choosing anything.

This server publishes no instructions, or was last inspected before Glama recorded them.

Capabilities

Features and capabilities supported by this server

Protocol revision2025-11-25

CapabilityDetails
tools
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prompts
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resources
{
  "subscribe": false,
  "listChanged": false
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experimental
{}

Tools

Functions exposed to the LLM to take actions

NameDescription
AtomicNumberToSymbolA

Convert an atomic number to its element symbol.

Args: Z: Atomic number (1-120)

SymbolToAtomicNumberA

Convert an element symbol to its atomic number.

Args: symbol: Element symbol, e.g. "Fe", "Cu", "Au"

AtomicWeightA

Get the atomic weight of an element.

Args: Z: Atomic number (1-120)

ElementDensityA

Get the density of a pure element.

Args: Z: Atomic number (1-120)

ElectronConfigA

Get the electron configuration for a given shell of an element.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL", "M5_SHELL"

CompoundParserB

Parse a chemical compound formula and return its composition.

Args: compound: Chemical formula, e.g. "SiO2", "H2O", "Ca5(PO4)3F"

Atomic_FactorsA

Calculate atomic factors f0, f', and f'' for an element.

Args: Z: Atomic number (1-120) E: Photon energy in keV q: Momentum transfer in 1/Angstrom debye_factor: Debye temperature factor

LineEnergyA

Get the energy of an X-ray fluorescence line.

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE"

EdgeEnergyB

Get the absorption edge energy for a given shell.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL", "M5_SHELL"

FluorYieldC

Get the fluorescence yield for a given shell.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL"

JumpFactorB

Get the jump factor for a given absorption edge.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL"

RadRateA

Get the radiative rate for a given fluorescence line.

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE"

AtomicLevelWidthB

Get the natural width of an atomic level.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL"

CS_TotalA

Calculate the total cross section of an element (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_PhotoA

Calculate the photoionization cross section of an element (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_RaylB

Calculate the Rayleigh scattering cross section of an element (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_ComptB

Calculate the Compton scattering cross section of an element (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_KNB

Calculate the Klein-Nishina cross section (barn/electron).

Args: E: Photon energy in keV

CS_EnergyA

Calculate the mass energy-absorption cross section of an element (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_TotalB

Calculate the total cross section of an element (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_PhotoB

Calculate the photoionization cross section of an element (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_RaylB

Calculate the Rayleigh scattering cross section of an element (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_ComptB

Calculate the Compton scattering cross section of an element (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_FluorLineA

Calculate the fluorescence line cross section (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE" E: Photon energy in keV

CSb_FluorLineB

Calculate the fluorescence line cross section (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE" E: Photon energy in keV

CS_FluorShellC

Calculate the fluorescence shell cross section (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShellB

Calculate the fluorescence shell cross section (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_FluorLine_KisselA

Calculate the fluorescence line cross section using Kissel photoionization (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CSb_FluorLine_KisselC

Calculate the fluorescence line cross section using Kissel photoionization (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CS_FluorLine_Kissel_CascadeB

Calculate the fluorescence line cross section with full cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CSb_FluorLine_Kissel_CascadeB

Calculate the fluorescence line cross section with full cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CS_FluorLine_Kissel_Nonradiative_CascadeB

Calculate the fluorescence line cross section with nonradiative cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CSb_FluorLine_Kissel_Nonradiative_CascadeA

Calculate the fluorescence line cross section with nonradiative cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CS_FluorLine_Kissel_Radiative_CascadeB

Calculate the fluorescence line cross section with radiative cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CSb_FluorLine_Kissel_Radiative_CascadeA

Calculate the fluorescence line cross section with radiative cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CS_FluorLine_Kissel_no_CascadeB

Calculate the fluorescence line cross section without cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CSb_FluorLine_Kissel_no_CascadeA

Calculate the fluorescence line cross section without cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV

CS_FluorShell_KisselA

Calculate the fluorescence shell cross section using Kissel photoionization (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShell_KisselB

Calculate the fluorescence shell cross section using Kissel photoionization (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_FluorShell_Kissel_CascadeA

Calculate the fluorescence shell cross section with full cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShell_Kissel_CascadeC

Calculate the fluorescence shell cross section with full cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_FluorShell_Kissel_Nonradiative_CascadeA

Calculate the fluorescence shell cross section with nonradiative cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShell_Kissel_Nonradiative_CascadeA

Calculate the fluorescence shell cross section with nonradiative cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_FluorShell_Kissel_Radiative_CascadeB

Calculate the fluorescence shell cross section with radiative cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShell_Kissel_Radiative_CascadeA

Calculate the fluorescence shell cross section with radiative cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_FluorShell_Kissel_no_CascadeA

Calculate the fluorescence shell cross section without cascade using Kissel (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_FluorShell_Kissel_no_CascadeA

Calculate the fluorescence shell cross section without cascade using Kissel (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CS_Total_KisselB

Calculate the total cross section using Kissel photoionization (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_Total_KisselA

Calculate the total cross section using Kissel photoionization (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_Photo_TotalA

Calculate the total photoionization cross section using Kissel (cm2/g).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CSb_Photo_TotalA

Calculate the total photoionization cross section using Kissel (barn/atom).

Args: Z: Atomic number (1-120) E: Photon energy in keV

CS_Photo_PartialA

Calculate the partial photoionization cross section for a shell (cm2/g).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

CSb_Photo_PartialA

Calculate the partial photoionization cross section for a shell (barn/atom).

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV

DCS_RaylB

Calculate the differential Rayleigh scattering cross section (cm2/g/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians

DCS_ComptA

Calculate the differential Compton scattering cross section (cm2/g/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians

DCSb_RaylA

Calculate the differential Rayleigh scattering cross section (barn/atom/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians

DCSb_ComptB

Calculate the differential Compton scattering cross section (barn/atom/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians

DCSP_RaylB

Calculate the polarized differential Rayleigh scattering cross section (cm2/g/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSP_ComptA

Calculate the polarized differential Compton scattering cross section (cm2/g/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSPb_RaylB

Calculate the polarized differential Rayleigh scattering cross section (barn/atom/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSPb_ComptB

Calculate the polarized differential Compton scattering cross section (barn/atom/sr).

Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

FF_RaylB

Calculate the Rayleigh form factor.

Args: Z: Atomic number (1-120) q: Momentum transfer in 1/Angstrom

SF_ComptA

Calculate the Compton incoherent scattering function.

Args: Z: Atomic number (1-120) q: Momentum transfer in 1/Angstrom

MomentTransfA

Calculate the momentum transfer for X-ray scattering.

Args: E: Photon energy in keV theta: Scattering angle in radians

ComptonEnergyA

Calculate the photon energy after Compton scattering.

Args: E0: Incident photon energy in keV theta: Scattering angle in radians

FiB

Calculate the real part of the anomalous scattering factor (delta f').

Args: Z: Atomic number (1-120) E: Photon energy in keV

FiiA

Calculate the imaginary part of the anomalous scattering factor (delta f'').

Args: Z: Atomic number (1-120) E: Photon energy in keV

ComptonProfileB

Calculate the Compton profile for an element.

Args: Z: Atomic number (1-120) pz: Projection of the electron momentum in atomic units

ComptonProfile_PartialA

Calculate the partial Compton profile for a shell of an element.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" pz: Projection of the electron momentum in atomic units

AugerRateC

Get the Auger rate for a given transition.

Args: Z: Atomic number (1-120) auger_trans: Auger transition name, e.g. "K_L1L1_AUGER", "L2_M5M5_AUGER"

AugerYieldB

Get the Auger yield for a given shell.

Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL"

CosKronTransProbA

Get the Coster-Kronig transition probability.

Args: Z: Atomic number (1-120) trans: Transition name, e.g. "FL13_TRANS", "FM15_TRANS"

CS_Total_CPA

Calculate the total cross section of a compound (cm2/g).

Args: compound: Chemical formula, e.g. "SiO2", "H2O", "CaCO3" E: Photon energy in keV

CS_Photo_CPB

Calculate the photoionization cross section of a compound (cm2/g).

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

CS_Rayl_CPA

Calculate the Rayleigh scattering cross section of a compound (cm2/g).

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

CS_Compt_CPA

Calculate the Compton scattering cross section of a compound (cm2/g).

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

CS_Energy_CPB

Calculate the mass energy-absorption cross section of a compound (cm2/g).

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

CS_Total_Kissel_CPA

Calculate the total cross section of a compound using Kissel photoionization (cm2/g).

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

CS_Photo_Total_CPC

Calculate the total photoionization cross section of a compound using Kissel (cm2/g).

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

CSb_Total_CPB

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

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

CSb_Photo_CPB

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

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

CSb_Rayl_CPB

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

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

CSb_Compt_CPC

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

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

CSb_Total_Kissel_CPA

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

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

CSb_Photo_Total_CPB

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

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

DCS_Rayl_CPB

Calculate the differential Rayleigh scattering cross section of a compound (cm2/g/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians

DCS_Compt_CPB

Calculate the differential Compton scattering cross section of a compound (cm2/g/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians

DCSb_Rayl_CPB

Calculate the differential Rayleigh scattering cross section of a compound (barn/atom/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians

DCSb_Compt_CPB

Calculate the differential Compton scattering cross section of a compound (barn/atom/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians

DCSP_Rayl_CPA

Calculate the polarized differential Rayleigh scattering cross section of a compound (cm2/g/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSP_Compt_CPB

Calculate the polarized differential Compton scattering cross section of a compound (cm2/g/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSPb_Rayl_CPB

Calculate the polarized differential Rayleigh scattering cross section of a compound (barn/atom/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

DCSPb_Compt_CPB

Calculate the polarized differential Compton scattering cross section of a compound (barn/atom/sr).

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians

Refractive_Index_ReB

Calculate the real part of the refractive index of a compound.

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV density: Density in g/cm3

Refractive_Index_ImA

Calculate the imaginary part of the refractive index of a compound.

Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV density: Density in g/cm3

GetCompoundDataNISTByNameA

Get NIST compound data by compound name.

Args: name: NIST compound name, e.g. "Water, Liquid", "Air, Dry (near sea level)"

GetCompoundDataNISTByIndexB

Get NIST compound data by index number.

Args: index: NIST compound index (0-based)

GetCompoundDataNISTListA

Get the list of all available NIST compound names.

GetRadioNuclideDataByNameC

Get radionuclide data by name.

Args: name: Radionuclide name, e.g. "55Fe", "241Am", "109Cd"

GetRadioNuclideDataByIndexA

Get radionuclide data by index number.

Args: index: Radionuclide index (0-based)

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