_pkgdown.yml

url: https://jeffsocal.github.io/mspredictr/
navbar:
  components:
    home: ~

template:
  bootstrap: 5
reference:
- title: Mass Calculations
  description: |
    Calculate the mass and m/z values for various molecules.
  contents:
  - mass_charged
  - mass_neutral
  - mass_atomic
  - mass_residue
  - mass_proton
  - mass_neutron

- title: Peptide Mass Calculations
  description: |
    Calculate the mass and m/z values for various molecules.
  contents:
  - peptide_length
  - peptide_mass

- title: Peptide String Manipulation
  description: |
    Calculate the mass and m/z values for various molecules.
  contents:
  - peptide_xleucine
  - peptide_reverse
  - str_peptide
  - str_sequence

- title: Spectrum
  description: |
    Predict fragment mass spectrum values
  contents:
  - plot_spectrum
  - spectrum_denoise
  - spectrum_simulate

- title: Fragmentation
  description: |
    Predict fragment mass spectrum values
  contents:
  - fragments

- title: internal
  contents:
  - filter_precursor
  - filter_topn
  - filter_xcorr
  - index_fragments
  - index_mass
  - mass_ladder
  - mass_ladder_named
  - mass_fragments
  - model_isotopes
  - munge_seq
  - num_trunc
  - pairwise_delta
  - sim_spectrum_accuracy
  - spectrum_assign
  - spectrum_extract
  - sim_spectrum_isotopes
  - sim_spectrum_noise
  - str_clean
  - which_top_n
  - which_xprecursor
  - group_isotopes
  - label_isotopes
  - mspredictr-package
  - spectrum_isotopes
  - which_monoisotopes