InputOutput

JuChrom.InputOutput.FileExistsError([msg::AbstractString]) <: Exception

File already exists. msg is an optional descriptive error message.

See also IOError.

JuChrom.InputOutput.IOError([msg::AbstractString]) <: Exception

There was a problem reading or writing a file. msg is an optional descriptive error message.

See also FileExistsError.

JuChrom.InputOutput.Source

Supertype for all data sources.

See also File, Path.

JuChrom.InputOutput.File() <: Source

Type that indicates a source is a file.

See also Source, Path.

JuChrom.InputOutput.Path() <: Source

Type that indicates a source is a path.

See also Source, File.

JuChrom.InputOutput.buildxic(pointcounts::AbstractVector{<:Integer}, 
ionvec::AbstractVector{<:Real}, intsvec::AbstractVector{<:Real})

Return a sorted list of ions and an intensity matrix with the number of columns equal to the number of ions in the sorted list and the number of rows equal to the number of scans. This is based on a vector that stores the number of ion-intensity pairs per scan (pointcounts), a vector of continuously recorded ions throughout the run (ionvec), and a vector of intensity values associated with those ions (intsvec).

Examples

julia> pointcounts = [2, 3, 2];

julia> ionvec = [85.1, 100.2, 85.2, 99.9, 112.1, 84.9, 100.6];

julia> intsvec = Int64[12, 234, 23, 324, 45422, 21, 523];

julia> mzs, xic = JuChrom.InputOutput.buildxic(pointcounts, ionvec, intsvec);

julia> mzs
7-element Vector{Float64}:
  84.9
  85.1
  85.2
  99.9
 100.2
 100.6
 112.1

julia> xic
3×7 Matrix{Int64}:
  0  12   0    0  234    0      0
  0   0  23  324    0    0  45422
 21   0   0    0    0  523      0