rsp.build: Building respeciate-like Objects

In atmoschem/respeciate: Speciation profiles for gases and aerosols

Building respeciate-like Objects

Description

rsp function(s) to reconfigure data.frames (and similar object classes) for use with data and functions in respeciate.

Usage

rsp_build_x(x, profile_id, profile_name, species_name, species_id, value, ...)

rsp_build_simx(m, n = 1, ...)

Arguments

x	data.frame or similar (i.e. something that can be coerced into a data.frame using as.data.frame) to be converted into a respeciate object.
profile_name, profile_id	(character) The names of the columns in x containing profile names and identifiers, respectively. If not already named according to respeciate conventions, at least one of these will need to be assigned.
species_name, species_id	(character) The names of the columns in x containing species name and identifiers, respectively. If not already named according to respeciate conventions, at least one of these will need to be assigned.
value	(character) The name of the column in x containing measurement values. If not already named according to respeciate conventions, this will need to be assigned.
...	(any other arguments) currently ignored.
m	respeciate data set of source profiles intended to be used as the source profiles (or M) matrix when building a simulated data set for use with a PLS model (see rsp_pls_x)
n	a numeric object, e.g. a vector, matrix, data.frame or a similar object that can be coerced into a data.frame of suitable dimensions for use as the source strength matrix (N) to build a simulated data set for use with a PLS model (see rsp_pls_x).

Value

rsp_builds attempt to build and return a respeciate-like object that can be directly compared with data from respeciate.

rsp_build_x is the standard object builder.

rsp_build_simx builds a simulation of an x data set based on the 'linear combination of profiles' model applied in conventional source apportionment. (See below and rsp_pls_x)

Note

If you want to compare your data with profiles in the respeciate archive, you need respeciate conventions when assigning species names and identifiers. We are working on options to improve on this (and very happy to discuss if anyone has ideas), but current best suggestion is: (1) identify the respeciate species code for each of the species in your data set, and (2) assign these as species_code when rsp_building. The function will then associate the species_name from respeciate species records.

atmoschem/respeciate documentation built on April 3, 2025, 4:25 p.m.