diff --git a/pes_to_spec/test/offline_analysis.py b/pes_to_spec/test/offline_analysis.py index ad852659a46699cf69e075a559fedab2554ae3e2..90ce3ce5eacc6733fa7343d9db891fc2513975ff 100755 --- a/pes_to_spec/test/offline_analysis.py +++ b/pes_to_spec/test/offline_analysis.py @@ -401,6 +401,8 @@ def main(): df = pd.DataFrame(dict(auto_corr_hr=model.auto_corr_hr, auto_corr_virt=model.auto_corr_virt, energy=model.wiener_energy + fwhm_hr=model.fwhm_hr*np.ones_like(model.auto_corr_hr), + fwhm_virt=model.fwhm_virt*np.ones_like(model.auto_corr_virt), ) ) df.to_csv(os.path.join(args.directory, "resolution.csv")) diff --git a/pes_to_spec/test/prepare_plots.py b/pes_to_spec/test/prepare_plots.py index 1b23ccd14e32fa3abb2d3236ecf16be5ad32b63b..25deba466113a1a5d604d4cec202e85dcb91559d 100755 --- a/pes_to_spec/test/prepare_plots.py +++ b/pes_to_spec/test/prepare_plots.py @@ -54,8 +54,10 @@ def plot_autocov(df: pd.DataFrame, filename: str): fig = plt.figure(figsize=(12, 8)) gs = GridSpec(1, 1) ax = fig.add_subplot(gs[0, 0]) - ax.plot(df.energy, df.auto_corr_hr, c='b', lw=3, label="Grating spectrometer") - ax.plot(df.energy, df.auto_corr_virt, c='r', lw=3, label="Virtual spectrometer") + fwhm_hr = df.fwhm_hr[0] + fwhm_virt = df.fwhm_virt[0] + ax.plot(df.energy, df.auto_corr_hr, c='b', lw=3, label="Grating spectrometer (FWHM={fwhm_hr:.2} eV)") + ax.plot(df.energy, df.auto_corr_virt, c='r', lw=3, label="Virtual spectrometer (FWHM={fwhm_cirt:.2} eV)") ax.legend(frameon=False, borderaxespad=0, loc='upper left') ax.spines['top'].set_visible(False) ax.spines['right'].set_visible(False) @@ -546,5 +548,5 @@ if __name__ == '__main__': pca_variance_plot(pd.read_csv(f'{indir}/pca_spec.csv'), f'pca_spec.pdf', max_comp_frac=0.99) pca_variance_plot(pd.read_csv(f'{indir}/pca_pes.csv'), f'pca_pes.pdf', max_comp_frac=0.95) - plot_autocov(pd.read_csv(f'{indir}/autocov.csv'), f'autocov.pdf') + plot_autocov(pd.read_csv(f'{indir}/resolution.csv'), f'autocov.pdf')