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feat: factor calculation based in mu parameter for pseudoVoigt function #89

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Merged
jobo322 merged 1 commit into from
Jun 2, 2026
Merged

feat: factor calculation based in mu parameter for pseudoVoigt function #89

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16 changes: 9 additions & 7 deletions README.md
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Expand Up @@ -9,16 +9,18 @@ Generate various peak shapes.

The current supported kinds of shapes:

| Name | Equation |
| ------------ | :-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: |
| Gaussian | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D"/> |
| Lorentzian | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D"/> |
| Pseudo Voigt | <img src="https://tex.cheminfo.org/?tex=y%20%5Ccdot%5Cleft%5Bx_g%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D%20%2B%20x_l%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D%5Cright%5D"/> |
| Name | Equation |
| --------------------------- | :-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: |
| Gaussian | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D"/> |
| Lorentzian | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D"/> |
| Lorentzian Dispersive | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cfrac%7B2%5Comega%5Cdelta%7D%7B4%5Cdelta%5E2%20%2B%20%5Comega%5E2%7D"/> |
| Generalized Lorentzian | <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cleft%5B%281-%5Cgamma%29%5Ccdot%5Cfrac%7B1%7D%7B1%2Bu%7D%20%2B%20%5Cgamma%5Ccdot%5Cfrac%7B1%2B%5Cfrac%7Bu%7D%7B2%7D%7D%7B1%2Bu%2Bu%5E2%7D%5Cright%5D"/> |
| Pseudo Voigt | <img src="https://tex.cheminfo.org/v1/?tex=y%20%5Ccdot%5Cleft%5Bmu%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D%20%2B%20%5Cleft(1%20-%20mu%5Cright)%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D%5Cright%5D"/> |

where

| <img src="https://tex.cheminfo.org/?tex=%5Cdelta%20%3D%20%5Cleft(t%20-%20x%5Cright)%5E2%0A"/> | <img src="https://tex.cheminfo.org/?tex=%5Csigma%20%3D%20%5Cfrac%7BFWHM%7D%7B2%5Csqrt%7B2%20%5Ccdot%20ln(2)%7D%7D"/> | <img src="https://tex.cheminfo.org/?tex=%5Comega%20%3D%20FWHM"/> |
| --------------------------------------------------------------------------------------------- | :------------------------------------------------------------------------------------------------------------------: | :--------------------------------------------------------------- |
| <img src="https://tex.cheminfo.org/?tex=%5Cdelta%20%3D%20%5Cleft(t%20-%20x%5Cright)%5E2%0A"/> | <img src="https://tex.cheminfo.org/?tex=%5Csigma%20%3D%20%5Cfrac%7BFWHM%7D%7B2%5Csqrt%7B2%20%5Ccdot%20ln(2)%7D%7D"/> | <img src="https://tex.cheminfo.org/?tex=%5Comega%20%3D%20FWHM"/> |<img src="https://tex.cheminfo.org/v1/?tex=u%20%3D%20%5Cleft(%5Cfrac%7B2%5Cdelta%7D%7B%5Comega%7D%5Cright)%5E2"/> |
|---------------------: | :---------------------------------------------------------------------------------------------: | :------------------------------------------------------------------------------------------------------------------: | :--------------------------------------------------------------- |

## Installation

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