getpspectra              package:CAMERA              R Documentation

_R_e_t_r_i_e_v_e _a _s_p_e_c_t_r_a-_g_r_o_u_p _p_e_a_k_l_i_s_t

_D_e_s_c_r_i_p_t_i_o_n:

     Extract one group from a xsAnnotate object. Returns a peaklist
     with annotated peaks.

_U_s_a_g_e:

       getpspectra(object,grp)

_A_r_g_u_m_e_n_t_s:

  object: xsAnnotate object

     grp: index of pseudo-spectra-group

_D_e_t_a_i_l_s:

     xsAnnotate groups LC/MS Peaklist after there EIC correlation and
     FWHM. These function extract one of these so called "pseudo
     spectra groups" with include the peaklist with there annotations.
     The annotation depends on a before called findAdducts() ( and
     findIsotopes() ). Attention: The indices for the isotopes, are
     those from the whole peaklist. See 'getPeaklist()'.

_A_u_t_h_o_r(_s):

     Carsten Kuhl <ckuhl@ipb-halle.de>

_E_x_a_m_p_l_e_s:

       library(CAMERA)
       file <- system.file('mzdata/MM14.mzdata', package = "CAMERA")
       xs   <- xcmsSet(c(file), method="centWave", ppm=30, peakwidth=c(5,10))
       an   <- xsAnnotate(xs)
       an   <- groupFWHM(an)
       peaklist <- getpspectra(an, 1)

