A getter that returns the generated ms2 data in your mass_data object.
Arguments
- mass_data
The object generated from
ms2_ms1_compare().
Examples
data <-
import_all_data(peak_table =
mums2::mums2_example("botryllus_pt_small.csv"),
metadata =
mums2::mums2_example("boryillus_metadata.csv"),
format = "None")
matched_data <- ms2_ms1_compare(mums2_example("botryllus_v2.gnps.mgf"),
data, 1, 6)
#> Reading: /home/runner/work/_temp/Library/mums2/extdata/botryllus_v2.gnps.mgf ...
#> 17/349 peaks have an MS2 spectra.
get_ms2_matches(matched_data)
#> mz rt ms1_compound_id spectra_index ms2_spectrum_id
#> 1 560.3795 6.75 559.37264 Da 448.87 s 1 mz560.37947rt6.75
#> 2 883.4650 7.64 882.45822 Da 458.82 s 2 mz883.46501rt7.64
#> 3 783.5722 5.97 782.56450 Da 436.43 s 3 mz783.5722rt5.97
#> 4 537.5351 8.09 536.52815 Da 486.44 s 4 mz537.53513rt8.09
#> 5 649.4492 7.11 648.44226 Da 504.36 s 5 mz649.44915rt7.11
#> 6 610.1831 6.18 609.17531 Da 532.76 s 6 mz610.18314rt6.18
#> 7 648.4239 6.19 647.41630 Da 447.95 s 7 mz648.42394rt6.19
#> 8 779.5401 6.19 778.53241 Da 445.03 s 8 mz779.54013rt6.19
#> 9 556.4064 6.78 555.39892 Da 347.32 s 9 mz556.40644rt6.78
#> 10 762.5488 10.06 761.54191 Da 605.01 s 10 mz762.54882rt10.06
#> 11 688.4891 6.50 687.48123 Da 402.80 s 11 mz688.48905rt6.5
#> 12 1299.3202 10.07 1298.31327 Da 555.75 s 12 mz1299.32019rt10.07
#> 13 795.5417 8.15 794.53451 Da 530.10 s 13 mz795.54166rt8.15
#> 14 1294.3631 10.09 1293.35540 Da 486.71 s 14 mz1294.36313rt10.09
#> 15 678.4741 7.79 677.46670 Da 408.06 s 15 mz678.47406rt7.79
#> 16 688.4891 6.50 687.48111 Da 390.53 s 16 mz688.48905rt6.5
#> 17 873.2658 8.85 872.25849 Da 530.21 s 17 mz873.26578rt8.85