lydwhitt-tools 0.1.0

Petrology tools

Lydwhitt_tools

A collection of functions and tools I have developed and find useful during my volcanology PhD.

Whilst I have a lot of tools and functions on my computer that I use regularly, I haven't yet put them all in a place to help others. There are a lot of very simple tasks that waste time, which I've created tools to complete, and I will be adding them to this repository over time.

I started collating this in August 2025 — so bear with me whilst I get it going!

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Install

pip install lydwhitt-tools

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Quickstart

Here’s the simplest way to run the geochemical filter tool: import pandas as pd import lydwhitt_tools as lwt Load your geochemical dataset df = pd.read_csv("my_data.csv") Apply the filter (defaults: total_perc=96, percentiles=(98, 98)) filtered_df = lwt.geochemical_filter(df, phase="Cpx") print(filtered_df.head())

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Detailed Usage

The geochemical_filter function filters geochemical datasets using the Mahalanobis distance method in two passes.

Function signature: lwt.geochemical_filter(df, phase, total_perc=None, percentiles=None)

Parameters:

• phase (str) – e.g., "Cpx", "Plg", "Liq". Must match the suffix used after oxide wt% values in your dataset.
• total_perc (float, optional) – Minimum total oxide percentage allowed. Defaults to 96.
• percentiles (int, float, or tuple, optional) – Percentile cutoffs for Pass 1 and Pass 2.
  • Single value applies to both passes (e.g., percentiles=98).
  • Tuple gives different cutoffs for each pass (e.g., percentiles=(95, 99)).

Example: Use different percentiles for each pass filtered_df = lwt.geochemical_filter(df, phase="Plg", total_perc=97, percentiles=(95, 99))

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Output

The function returns the filtered DataFrame, including flags for each pass:

• Mahalanobis – Mahalanobis distance for each row in the given pass.
• P1_Outlier – Boolean flag indicating if the row was an outlier in Pass 1.
• P2_Outlier – Boolean flag indicating if the row was an outlier in Pass 2.

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Features Coming Soon

This repository will grow to include: -formula recalculations for different phases -simple plotting frameworks -data re-oragnisation tools for popular gothermobarometry packages

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License

This project is licensed under the MIT License.