diff --git a/.DS_Store b/.DS_Store new file mode 100644 index 0000000..c5c861c Binary files /dev/null and b/.DS_Store differ diff --git a/README.md b/README.md index aa3214d..702ba6e 100644 --- a/README.md +++ b/README.md @@ -21,27 +21,6 @@ Creates data visualizations of property and spectra patterns with whole dataset. ## Folders and organization -### data - -#### spectra -raw spectra csv files for real experimental FTIR spectra for neat and blend fuels. - -#### interpolated_spectra -artificial spectra created from make_artificial_spectra.ipynb - -#### interpolated_spectra_analysis - -contains csv files of R2 correlation fits of polyfits at each wavenumber and percent differences in absorbance agreement for artificial spectra made at compositions there is real spectra for. This is to analyze the performance of the polyfit method to synthesize FTIR spectra. Plots are stored in data/interpolated_spectra_analysis. - -### plots - -#### spectra_plots -contains plots of all spectra real and artificial. - -#### interpolated_spectra_analysis - -contains csv files of R2 correlation fits of polyfits at each wavenumber and percent differences in absorbance agreement for artificial spectra made at compositions there is real spectra for. This is to analyze the performance of the polyfit method to synthesize FTIR spectra. Plots of this data is stored in data/interpolated_spectra_analysis. - ### input_files Contains input files in yaml format for model comparison runs. diff --git a/med_search.yaml b/hyperparameter_searches/med_search.yaml similarity index 100% rename from med_search.yaml rename to hyperparameter_searches/med_search.yaml diff --git a/narrow_search.yaml b/hyperparameter_searches/narrow_search.yaml similarity index 100% rename from narrow_search.yaml rename to hyperparameter_searches/narrow_search.yaml diff --git a/wide_search.yaml b/hyperparameter_searches/wide_search.yaml similarity index 100% rename from wide_search.yaml rename to hyperparameter_searches/wide_search.yaml diff --git a/HC_input.yaml b/input_files/HC_input.yaml similarity index 100% rename from HC_input.yaml rename to input_files/HC_input.yaml diff --git a/MW_input.yaml b/input_files/MW_input.yaml similarity index 100% rename from MW_input.yaml rename to input_files/MW_input.yaml diff --git a/fp_c_input.yaml b/input_files/fp_c_input.yaml similarity index 100% rename from fp_c_input.yaml rename to input_files/fp_c_input.yaml diff --git a/mp_c_input.yaml b/input_files/mp_c_input.yaml similarity index 100% rename from mp_c_input.yaml rename to input_files/mp_c_input.yaml