OpenMS
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#include <OpenMS/config.h>
#include <string>
Go to the source code of this file.
Namespaces | |
OpenMS | |
Main OpenMS namespace. | |
OpenMS::Constants | |
Mathematical and physical constants namespace. | |
OpenMS::Constants::UserParam | |
Variables | |
const std::string | CONCAT_PEPTIDE = "concatenated_peptides" |
const std::string | LOCALIZED_MODIFICATIONS_USERPARAM = "localized_modifications" |
const std::string | MERGED_CHROMATOGRAM_MZS = "merged_chromatogram_mzs" |
const std::string | PRECURSOR_ERROR_PPM_USERPARAM = "precursor_mz_error_ppm" |
const std::string | FRAGMENT_ERROR_MEDIAN_PPM_USERPARAM = "fragment_mz_error_median_ppm" |
const std::string | FRAGMENT_ERROR_PPM_USERPARAM = "fragment_mass_error_ppm" |
const std::string | FRAGMENT_ERROR_DA_USERPARAM = "fragment_mass_error_da" |
const std::string | FRAGMENT_ANNOTATION_USERPARAM = "fragment_annotation" |
const std::string | PSM_EXPLAINED_ION_CURRENT_USERPARAM = "PSM_explained_ion_current" |
const std::string | MATCHED_PREFIX_IONS_FRACTION = "matched_prefix_ions_fraction" |
const std::string | MATCHED_SUFFIX_IONS_FRACTION = "matched_suffix_ions_fraction" |
const std::string | SPECTRUM_REFERENCE = "spectrum_reference" |
const std::string | ID_MERGE_INDEX = "id_merge_index" |
const std::string | TARGET_DECOY = "target_decoy" |
const std::string | DELTA_SCORE = "delta_score" |
const std::string | ISOTOPE_ERROR = "isotope_error" |
const std::string | OPENPEPXL_SCORE = "OpenPepXL:score" |
const std::string | OPENPEPXL_BETA_SEQUENCE = "sequence_beta" |
const std::string | OPENPEPXL_BETA_ACCESSIONS = "accessions_beta" |
const std::string | OPENPEPXL_XL_POS1 = "xl_pos1" |
const std::string | OPENPEPXL_XL_POS2 = "xl_pos2" |
const std::string | OPENPEPXL_XL_POS1_PROT = "xl_pos1_protein" |
const std::string | OPENPEPXL_XL_POS2_PROT = "xl_pos2_protein" |
const std::string | OPENPEPXL_XL_TYPE = "xl_type" |
const std::string | OPENPEPXL_XL_RANK = "xl_rank" |
const std::string | OPENPEPXL_XL_MOD = "xl_mod" |
const std::string | OPENPEPXL_XL_MASS = "xl_mass" |
const std::string | OPENPEPXL_XL_TERM_SPEC_ALPHA = "xl_term_spec_alpha" |
const std::string | OPENPEPXL_XL_TERM_SPEC_BETA = "xl_term_spec_beta" |
const std::string | OPENPEPXL_HEAVY_SPEC_RT = "spec_heavy_RT" |
const std::string | OPENPEPXL_HEAVY_SPEC_MZ = "spec_heavy_MZ" |
const std::string | OPENPEPXL_HEAVY_SPEC_REF = "spectrum_reference_heavy" |
const std::string | OPENPEPXL_TARGET_DECOY_ALPHA = "xl_target_decoy_alpha" |
const std::string | OPENPEPXL_TARGET_DECOY_BETA = "xl_target_decoy_beta" |
const std::string | OPENPEPXL_BETA_PEPEV_PRE = "BetaPepEv:pre" |
const std::string | OPENPEPXL_BETA_PEPEV_POST = "BetaPepEv:post" |
const std::string | OPENPEPXL_BETA_PEPEV_START = "BetaPepEv:start" |
const std::string | OPENPEPXL_BETA_PEPEV_END = "BetaPepEv:end" |
const std::string | XFDR_FDR = "XFDR:FDR" |
const std::string | IIMN_BEST_ION = "best ion" |
const std::string | IIMN_ADDUCT_PARTNERS = "partners" |
const std::string | IIMN_ROW_ID = "row ID" |
const std::string | IIMN_ANNOTATION_NETWORK_NUMBER = "annotation network number" |
const std::string | ADDUCT_GROUP = "Group" |
const std::string | IIMN_LINKED_GROUPS = "LinkedGroups" |
const std::string | DC_CHARGE_ADDUCTS = "dc_charge_adducts" |
const std::string | NUM_OF_MASSTRACES = "num_of_masstraces" |
const std::string | NUM_OF_DATAPOINTS = "num_of_datapoints" |
const std::string | MSM_METABOLITE_NAME = "Metabolite_Name" |
const std::string | MSM_INCHI_STRING = "Inchi_String" |
const std::string | MSM_SMILES_STRING = "SMILES_String" |
const std::string | MSM_PRECURSOR_ADDUCT = "Precursor_Ion" |
const std::string | MSM_SUM_FORMULA = "Sum_Formula" |
Mathematical constants. | |
const double | PI = 3.14159265358979323846 |
PI. More... | |
const double | E = 2.718281828459045235 |
Euler's number - base of the natural logarithm. More... | |
double | EPSILON = 1e-6 |
Chemical/physical constants. | |
const double | ELEMENTARY_CHARGE = 1.60217738E-19 |
const double | e0 = ELEMENTARY_CHARGE |
Elementary charge (alias) More... | |
const double | ELECTRON_MASS = 9.1093897E-31 |
const double | ELECTRON_MASS_U = 1.0 / 1822.8885020477 |
const double | PROTON_MASS = 1.6726230E-27 |
const double | PROTON_MASS_U = 1.0072764667710 |
const double | C13C12_MASSDIFF_U = 1.0033548378 |
const double | ISOTOPE_MASSDIFF_55K_U = 1.002371 |
const double | NEUTRON_MASS = 1.6749286E-27 |
const double | NEUTRON_MASS_U = 1.00866491566 |
const double | AVOGADRO = 6.0221367E+23 |
const double | NA = AVOGADRO |
const double | MOL = AVOGADRO |
const double | BOLTZMANN = 1.380657E-23 |
const double | k = BOLTZMANN |
const double | PLANCK = 6.6260754E-34 |
const double | h = PLANCK |
const double | GAS_CONSTANT = NA * k |
const double | R = GAS_CONSTANT |
const double | FARADAY = NA * e0 |
const double | F = FARADAY |
const double | BOHR_RADIUS = 5.29177249E-11 |
const double | a0 = BOHR_RADIUS |
const double | VACUUM_PERMITTIVITY = 8.85419E-12 |
const double | VACUUM_PERMEABILITY = (4 * PI * 1E-7) |
const double | SPEED_OF_LIGHT = 2.99792458E+8 |
const double | c = SPEED_OF_LIGHT |
const double | GRAVITATIONAL_CONSTANT = 6.67259E-11 |
const double | FINE_STRUCTURE_CONSTANT = 7.29735E-3 |
Conversion factors | |
const double | DEG_PER_RAD = 57.2957795130823209 |
const double | RAD_PER_DEG = 0.0174532925199432957 |
const double | MM_PER_INCH = 25.4 |
const double | M_PER_FOOT = 3.048 |
const double | JOULE_PER_CAL = 4.184 |
const double | CAL_PER_JOULE = (1 / 4.184) |
User parameters in/from Sirius annotated mzMLs | |
E.g., when running SiriusAdapter with annotation output | |
const std::string | SIRIUS_MZ = "mz" |
const std::string | SIRIUS_EXACTMASS = "exact_mass" |
const std::string | SIRIUS_EXPLANATION = "explanation" |
const std::string | SIRIUS_SCORE = "score" |
const std::string | SIRIUS_PEAKMZ = "peak_mz" |
const std::string | SIRIUS_ANNOTATED_SUMFORMULA = "annotated_sumformula" |
const std::string | SIRIUS_ANNOTATED_ADDUCT = "annotated_adduct" |
const std::string | SIRIUS_DECOY = "decoy" |
const std::string | SIRIUS_FEATURE_ID = "feat_id" |