mspire 0.8.1 → 0.8.2

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Files changed (29) hide show
  1. data/VERSION +1 -1
  2. data/lib/mspire/cv/paramable.rb +25 -4
  3. data/lib/mspire/digester.rb +0 -16
  4. data/lib/mspire/imzml/writer.rb +1 -1
  5. data/lib/mspire/mzml/activation.rb +4 -0
  6. data/lib/mspire/mzml/chromatogram.rb +7 -3
  7. data/lib/mspire/mzml/component.rb +3 -1
  8. data/lib/mspire/mzml/data_array.rb +77 -87
  9. data/lib/mspire/mzml/data_array_container_like.rb +3 -8
  10. data/lib/mspire/mzml/isolation_window.rb +4 -0
  11. data/lib/mspire/mzml/precursor.rb +1 -1
  12. data/lib/mspire/mzml/reader.rb +3 -0
  13. data/lib/mspire/mzml/scan_window.rb +7 -0
  14. data/lib/mspire/mzml/selected_ion.rb +4 -0
  15. data/lib/mspire/mzml/spectrum.rb +18 -3
  16. data/lib/mspire/mzml.rb +2 -0
  17. data/lib/mspire/user_param.rb +13 -0
  18. data/spec/mspire/imzml/writer_spec.rb +17 -21
  19. data/spec/mspire/mzml/data_array_spec.rb +0 -5
  20. data/spec/mspire/mzml_spec.rb +56 -13
  21. data/spec/spec_helper.rb +22 -0
  22. data/spec/testfiles/mspire/{mzml → imzml}/1_BB7_SIM_478.5.CHECK.ibd +0 -0
  23. data/spec/testfiles/mspire/{mzml → imzml}/1_BB7_SIM_478.5.CHECK.imzML +144 -432
  24. data/spec/testfiles/mspire/imzml/{continuous_binary_check.ibd → continuous_binary.CHECK.ibd} +0 -0
  25. data/spec/testfiles/mspire/imzml/{processed_binary_check.ibd → processed_binary.CHECK.ibd} +0 -0
  26. data/spec/testfiles/mspire/mzml/j24z.idx_comp.3.NORMALIZED.CHECK.mzML +257 -0
  27. data/spec/testfiles/mspire/mzml/j24z.idx_comp.3.ROUNDTRIP.CHECK.mzML +257 -0
  28. data/spec/testfiles/mspire/mzml/{mspire_simulated.MSn.check.mzML → mspire_simulated.MSn.CHECK.mzML} +8 -6
  29. metadata +10 -8