write_ms2_data

Write ms2_data class object to msp or mgf

write_ms2_data(
  object,
  file_type = c("mgf", "msp"),
  file_name = "ms2_data",
  path = "."
)

Arguments

object

(required) mass_dataset class object.

file_type

(required) mgf or msp

file_name

(required) output file name.

path

(required) working directory.

Value

msp or mgf

Slots

column

column

polarity

polarity

variable_id

variable_id

ms2_spectrum_id

ms2_spectrum_id

ms2_mz

ms2_mz

ms2_rt

ms2_rt

ms2_file

ms2_file

ms2_spectra

ms2_spectra

mz_tol

mz_tol

rt_tol

rt_tol

Author

Xiaotao Shen shenxt1990@outlook.com