diff --git a/pes_to_spec/test/offline_analysis.py b/pes_to_spec/test/offline_analysis.py index 11966b7475f3d334ace2d200a944826e2929888d..ed80b675a552632592e38b6fd92d0e40de6e24ee 100755 --- a/pes_to_spec/test/offline_analysis.py +++ b/pes_to_spec/test/offline_analysis.py @@ -289,14 +289,14 @@ def main(): pca = PCA(None, whiten=True) pca.fit(pes_raw_select) df = pd.DataFrame(dict(variance_ratio=pca.explained_variance_ratio_, - n_comp=1000*np.ones_like(pca.explained_variance_ratio_), + n_comp=600*np.ones_like(pca.explained_variance_ratio_), )) df.to_csv(os.path.join(args.directory, "pca_pes.csv")) pca_spec = PCA(None, whiten=True) pca_spec.fit(spec_raw_int[train_idx]) df = pd.DataFrame(dict(variance_ratio=pca_spec.explained_variance_ratio_, - n_comp=40*np.ones_like(pca_spec.explained_variance_ratio_), + n_comp=20*np.ones_like(pca_spec.explained_variance_ratio_), )) df.to_csv(os.path.join(args.directory, "pca_spec.csv"))