msdata                package:msdata                R Documentation

_S_a_m_p_l_e _F_T_I_C_R, _L_C/_M_S _a_n_d _M_S$^_n$ _d_a_t_a

_D_e_s_c_r_i_p_t_i_o_n:

     'x' object containing a subset of LC/MS raw data from a Thermo
     Finnigan LCQ Deca XP  The data is a subset from 500-850 m/z and
     1190-1310 seconds, incl. MS2 and MS3, intensity threshhold
     100.000. It was collected in positive ionization mode.

     'xs' object containing a subset of FTICR data from a Bruker APex
     III FTICR. The data is a subset from 400-450 m/z, collected in
     positive ionization mode.

_U_s_a_g_e:

     data(xs)

_F_o_r_m_a_t:

     The format is:  
       xs


_D_e_t_a_i_l_s:

     The corresponding raw mzdata files are located in the 'fticr' and
     'iontrap' subdirectory of this package.

_S_e_e _A_l_s_o:

     'xcmsSet', 'xcmsRaw'

_E_x_a_m_p_l_e_s:

     ## The directory with the mzData LC/MS files
     mzdatapath <- file.path(.find.package("msdata"), "iontrap")
     mzdatapath
     files <- list.files(mzdatapath, recursive = TRUE, full.names = TRUE)

     if (require(xcms)) {

     ## xcmsSet Summary
     show(xs)

     ## Access raw data file
     x <- xcmsRaw(files[1])
     x

     }

