Classes
struct	SiriusAdapterHit
	Internal structure used in SiriusAdapter that is used for the conversion of the sirius output to an mzTab.SiriusAdapterHit: formula (String) - Sumformula adduct (String) - Assigned adduct rank (int) - Rank of the possible sumformula for a compound (spectrum) calculated by Sirius score (double) - Overall score of the possible sumformula for a compound (spectrum) calculated by Sirius treescore (double) - Fragmentation pattern score isoscore (double) - Isotope pattern score explainedpeaks (int) - Number of explained peaks explainedintensity (double) - Relative amount of explained intensity. More...

struct	SiriusAdapterIdentification

struct	SiriusAdapterRun

Static Public Member Functions
static int	extract_scan_index (const String &path)
	Extract scan_index from filepath. More...

static void	read (const std::vector< String > &sirius_output_paths, const String &original_input_mzml, const Size &top_n_hits, MzTab &result)
	Conversion of sirius output to mzTab. More...

Member Function Documentation

◆ extract_scan_index()

static int extract_scan_index ( const String & path )

static

Extract scan_index from filepath.

static

Conversion of sirius output to mzTab.

Output of Sirius is one directory per spectrum/compound

Parameters

sirius_output_paths	Path to output directories of Sirius
original_input_mzml	Path to mzml input of SiriusAdapter
top_n_hits	Top n entries for each compound written to the result file