 |
OpenMS
|
A structure to hold the different scores computed by OpenSWATH. More...
#include <OpenMS/ANALYSIS/OPENSWATH/OpenSwathScores.h>
Public Member Functions | |
| OpenSwath_Scores ()=default | |
| double | get_quick_lda_score (double library_corr_, double library_norm_manhattan_, double norm_rt_score_, double xcorr_coelution_score_, double xcorr_shape_score_, double log_sn_score_) const |
| double | calculate_lda_prescore (const OpenSwath_Scores &scores) const |
| A quick LDA model based non-DIA scores. More... | |
| double | calculate_lda_single_transition (const OpenSwath_Scores &scores) const |
| A scoring model for peak groups with a single transition. More... | |
| double | calculate_swath_lda_prescore (const OpenSwath_Scores &scores) const |
| A full LDA model using DIA and non-DIA scores. More... | |
A structure to hold the different scores computed by OpenSWATH.
This struct is used to store the individual OpenSWATH (sub-)scores. It also allows to compute some preliminary quality score for a feature by using a predefined combination of the individual scores determined using LDA.
|
default |
| double calculate_lda_prescore | ( | const OpenSwath_Scores & | scores | ) | const |
A quick LDA model based non-DIA scores.
A quick model LDA average model on which uses only non-DIA scores (library_corr, library_norm_manhattan, norm_rt_score, xcorr_coelution_score, xcorr_shape_score, log_sn_score and elution_model_fit_score).
| double calculate_lda_single_transition | ( | const OpenSwath_Scores & | scores | ) | const |
A scoring model for peak groups with a single transition.
Manually derived scoring model for single transition peakgroups, only uses norm_rt_score, log_sn_score, and elution_model_fit_score.
| double calculate_swath_lda_prescore | ( | const OpenSwath_Scores & | scores | ) | const |
A full LDA model using DIA and non-DIA scores.
A LDA average model which uses all available scores.
| double get_quick_lda_score | ( | double | library_corr_, |
| double | library_norm_manhattan_, | ||
| double | norm_rt_score_, | ||
| double | xcorr_coelution_score_, | ||
| double | xcorr_shape_score_, | ||
| double | log_sn_score_ | ||
| ) | const |
| double bseries_score = 0 |
| double dotprod_score_dia = 0 |
| double elution_model_fit_score = 0 |
| double im_delta = -1 |
| double im_delta_score = 0 |
| double im_drift = 0 |
| double im_drift_weighted = 0 |
| double im_ms1_contrast_coelution = 0 |
| double im_ms1_contrast_shape = 0 |
| double im_ms1_delta = -1 |
| double im_ms1_delta_score = 0 |
| double im_ms1_drift = 0 |
| double im_ms1_sum_contrast_coelution = 0 |
| double im_ms1_sum_contrast_shape = 0 |
| double im_xcorr_coelution_score = 0 |
| double im_xcorr_shape_score = 0 |
| double intensity = 0 |
| double isotope_correlation = 0 |
| double isotope_overlap = 0 |
| double library_corr = 0 |
| double library_dotprod = 0 |
| double library_manhattan = 0 |
| double library_norm_manhattan = 0 |
| double library_rootmeansquare = 0 |
| double library_sangle = 0 |
| double log_sn_score = 0 |
| double manhatt_score_dia = 0 |
| double massdev_score = 0 |
| double mi_score = 0 |
| double ms1_isotope_correlation = 0 |
| double ms1_isotope_overlap = 0 |
| double ms1_mi_combined_score = 0 |
| double ms1_mi_contrast_score = 0 |
| double ms1_mi_score = -1 |
| double ms1_ppm_score = 0 |
| double ms1_xcorr_coelution_combined_score = 0 |
| double ms1_xcorr_coelution_contrast_score = 0 |
| double ms1_xcorr_coelution_score = -1 |
| double ms1_xcorr_shape_combined_score = 0 |
| double ms1_xcorr_shape_contrast_score = 0 |
| double ms1_xcorr_shape_score = -1 |
| double norm_rt_score = 0 |
| double normalized_experimental_rt = 0 |
| double nr_peaks = 0 |
| double raw_rt_score = 0 |
| double rt_difference = 0 |
| double sn_ratio = 0 |
| double total_xic = 0 |
| double weighted_coelution_score = 0 |
| double weighted_massdev_score = 0 |
| double weighted_mi_score = 0 |
| double weighted_xcorr_shape = 0 |
| double xcorr_coelution_score = 0 |
| double xcorr_shape_score = 0 |
| double yseries_score = 0 |
1.9.1 
