diff --git a/pes_to_spec/model.py b/pes_to_spec/model.py index 91bfa8a71279a1f3dd10beb0c1ac1eaa7bc185b7..fa1d949b333e93208331010c08d5a2a6a0de9743 100644 --- a/pes_to_spec/model.py +++ b/pes_to_spec/model.py @@ -811,7 +811,7 @@ class Model(TransformerMixin, BaseEstimator): self.kde_intensity = KernelDensity() self.kde_intensity.fit(intensity.reshape(-1, 1)) self.mu_intensity = np.mean(intensity, axis=0) - self.sigma_intensity = np.mean(intensity, axis=0) + self.sigma_intensity = np.std(intensity, axis=0) #self.fit_model.set_params(fex__gamma=1.0/float(x_t.shape[0])) print("Fitting outlier detection") self.ood['full'].fit(x_t) @@ -916,7 +916,6 @@ class Model(TransformerMixin, BaseEstimator): unc=unc, pca=pca_unc, total_unc=total_unc, - inlier=self.ood['full'].predict(low_pca), Z_intensity=Z_intensity )