struct to store results
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#include <OpenMS/QC/DBSuitability.h>
◆ clear()
◆ getCorrectedNovoHits()
| double getCorrectedNovoHits |
( |
| ) |
const |
◆ getCorrectedSuitability()
| double getCorrectedSuitability |
( |
| ) |
const |
◆ getCorrectionFactor()
| double getCorrectionFactor |
( |
| ) |
const |
◆ setCorrectionFactor()
| void setCorrectionFactor |
( |
double |
factor | ) |
|
apply a correction factor to the already calculated suitability only works if num_top_db and num_top_novo contain a non-zero value
◆ simulateNoReRanking()
Returns a SuitabilityData object containing the data if re-ranking didn't happen.
Cases that are re-ranked are already counted. To get the 'no re-ranking' data these cases need to be subtracted from the number of top database hits and added to the number of top deNovo hits.
- Returns
- simulated suitability data where re-ranking didn't happen
◆ corr_factor
#IDs with only deNovo search / #IDs with only database search used for correcting the number of deNovo hits worse databases will have less IDs than good databases this punishes worse databases more than good ones and will result in a worse suitability
◆ cut_off
the cut-off that was used to determine when a score difference was "small enough" this is normalized by mw
◆ num_interest
number of times a deNovo hit scored on top of a database hit
◆ num_re_ranked
number of times a deNovo hit scored on top of a database hit, but their score difference was small enough, that it was still counted as a database hit
◆ num_top_db
number of times the top hit is considered to be a database hit
◆ num_top_novo
number of times the top hit is considered to be a deNovo hit
◆ num_top_novo_corr
| double num_top_novo_corr = 0 |
|
private |
number of top deNovo hits multiplied by the correction factor
◆ suitability
the suitability of the database used for identification search, calculated with: #db_hits / (#db_hits + #deNovo_hit) can reach from 0 -> the database was not at all suited to 1 -> the perfect database was used
Preliminary tests have shown that databases of the right organism or close related organisms score around 0.9 to 0.95, organisms from the same class can still score around 0.8, organisms from the same phylum score around 0.5 to 0.6 and after that it quickly falls to suitabilities of 0.15 or even 0.05. Note that these test were only performed for one mzML and your results might differ.
◆ suitability_corr
| double suitability_corr = 0 |
|
private |
the suitability after correcting the top deNovo hits to impact worse databases more
The corrected suitability has a more linear behaviour. It basicly translates to the ratio of the theoretical perfect database the used database corresponds to. (i.e. a corrected suitability of 0.5 means the used database contains half the proteins of the 'perfect' database)
◆ suitability_corr_no_rerank
| double suitability_corr_no_rerank = 0 |
the suitability after correcting the top deNovo hits, if re-ranking would have been disabled
◆ suitability_no_rerank
| double suitability_no_rerank = 0 |
the suitability if re-ranking would have been turned off if re-ranking is actually turned off, this will be the same as the normal suitability
1.9.1 
