Manipulation of UV-Vis data

After you’ve looked at the simple UV-Vis example, this one shows how you can manipulate UV-Vis data.

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the experiments present in this file are: dict_keys(['rxn buffer w_o', 'rxn buffer with', 'TCM w_o', 'TCMI36C w_o', 'rxn buff w_ellman', 'elution buff w_ellman', 'TCM w_ellman', 'TCMI36C_w_ellman'])
now I'm going to try a DSW file
the experiments present in this file are: dict_keys(['protein_1', 'protein_2', 'protein_3', 'protein_4', 'protein_5', 'protein_6', 'protein_7', 'protein_8', 'protein_9'])
1: UV data |||pm
2: subtract |||pm
3: kinetics data |||pm

from itertools import cycle
import matplotlib.pyplot as plt
import pyspecdata as psd

# {{{ changeable parameters
color_cycle = cycle(
    [
        "#1f77b4",
        "#ff7f0e",
        "#2ca02c",
        "#d62728",
        "#9467bd",
        "#8c564b",
        "#e377c2",
        "#7f7f7f",
        "#bcbd22",
        "#17becf",
    ]
)
# }}}
# init_logging('debug')
data = psd.find_file(
    "200703_Ellman_before_SL.DSW",
    exp_type="UV_Vis/Ellmans_Assay",
    zenodo="21041480",
)
print("the experiments present in this file are:", data.keys())
with psd.figlist_var() as fl:
    fl.next("UV data")
    for k, thisspectrum in data.items():
        fl.plot(thisspectrum, alpha=0.5, label=k)
    plt.ylabel(thisspectrum.get_units())
    plt.ylim((-0.05, 1))
    fl.next("subtract")
    for k, d in {
        "TCM": data["TCM w_ellman"] - data["TCM w_o"],
        "136C": data["TCMI36C_w_ellman"] - data["TCMI36C w_o"],
    }.items():
        thiscolor = next(color_cycle)
        fl.plot(d, alpha=0.5, color=thiscolor, label=k)
        fl.plot(
            d - data["rxn buff w_ellman"],
            ":",
            alpha=0.5,
            color=thiscolor,
            label="%s, subtracted" % k,
        )
    plt.ylabel(d.get_units())
    psd.gridandtick(plt.gca())
    print("now I'm going to try a DSW file")
    data = psd.find_file(
        "Ras_Stability4",
        exp_type="UV_Vis/Ras_stability/200803_RT",
        zenodo="21041480",
    )
    print("the experiments present in this file are:", data.keys())
    fl.next("kinetics data")
    for k, thisspectrum in data.items():
        fl.plot(thisspectrum, alpha=0.5, label=k)
    plt.ylabel(thisspectrum.get_units())
    plt.ylim((-0.05, 1))
    psd.gridandtick(plt.gca())