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Table Basics

Use emzed.Table when you want typed, expression-based tabular data. Columns such as mz and rt can use emzed.MzType and emzed.RtType so they print with domain-specific formatting.

"""Create and manipulate an emzed table."""

import emzed


def main():
    peaks = emzed.Table.create_table(
        ["compound", "mz", "rt", "area"],
        [str, emzed.MzType, emzed.RtType, float],
        rows=[
            ["caffeine", 195.08765, 42.0, 2.4e6],
            ["glucose", 181.07066, 60.0, 8.1e5],
            ["arginine", 175.11895, 95.0, 1.2e6],
        ],
    )

    peaks.add_column("area_million", peaks.area / 1e6, float)

    late_peaks = peaks.filter(peaks.rt > 50.0)
    summary = late_peaks.extract_columns("compound", "mz", "rt", "area_million")

    print(summary)


if __name__ == "__main__":
    main()

compound  mz           rt        area_million
str       MzType       RtType    float       
--------  -----------  --------  ------------
glucose    181.070660    1.00 m      0.810000
arginine   175.118950    1.58 m      1.200000