nCal (version 0.3-2)

bcrm: Bayesian Concentration-Response Model

Description

bcrm fit concentration-response curves with a Bayesian random effects model using JAGS

Usage

bcrm (formula, data, error.model, 
    informative.prior, 
    fit.4pl=FALSE,
    prior.sensitivity=NULL, 
    n.iter=1e5, jags.seed=1, n.thin=NULL, T.init=NULL, keep.data=TRUE, 
    keep.jags.samples=FALSE, standards.only=TRUE, n.adapt=1e3,
    verbose=FALSE,
    t.unk.truth=NULL, params.true=NULL)

## S3 method for class 'bcrm':
print(x, ...)
## S3 method for class 'bcrm':
coef(object, type="gh", ...)
## S3 method for class 'bcrm':
vcov(object, type="gh", ...)
## S3 method for class 'bcrm':
getVarComponent(fit) 
get.single.fit (fit, assay_id)

Arguments

formula

formula. Gives the response column and concentration column.

data

a data frame. Each row represents the measurement from one well/bead_type. See details

error.model

a string specifying the error.model to fit. See details.

informative.prior

boolean. If TRUE, use informative priors. See details.

fit.4pl

boolean. If TRUE, fit 4PL.

n.iter

a number indicating the number of iterations to run.

jags.seed

a number to seed the random number generator used within jags.

n.thin

a number specifying the thinning factor applied to the jags samples.

keep.data

a boolean. If TRUE, the fit object being returned has an element named "data", which contains ordered input data.

keep.jags.samples

boolean. If TRUE, the fit object being returned has an element named "jags.samples". coef samples will always be saved in "coef.samples".

t.unk.truth

True unknown concentrations, for simulation study use only.

params.true

True curve parameters, for simulation study use only.

T.init

a integer vector. Initial values for mixture indicators.

prior.sensitivity

integer. A number between 1 and 4. Change priors.

standards.only

boolean. If TRUE, data is subset to standard samples only.

n.adapt

integer. Passed to jags.model. If 0, then no adaptation happens and reproducible results can be obtained from jags.model.

verbose

boolean. If TRUE, debug messages are printed.

x

bcrm fit object.

object

bcrm fit object.

type

string. 5PL parameterization.

fit

bcrm fit object.

...

...

assay_id

string. Label for the assay run.

Value

• An object of type bcrm.

Details

data is expected to contain one to many plates with the same analyte.

• well_role Defines the role of a well. This should be from {Standard, Unknown, ...}. Standard wells are used to generate standard curves, and concentrations of the substance in the Unknown well will be estimated
• assay_id Identifies an assay, which is defined to be a collection of Standard and non-Standard wells. Measured fi from the Standard wells are used to create a set of standard curves, one of each bead type. Based on the standard curves and the measured fi from the non-Standard wells, concentrations of the substance in the non-Standard wells will be estimated. An assay can be a plate, if every plate has Standard wells; or it can be multiple plates run by one technician at one time, if there are only one set of Standard wells on these plates
• dilution Standard samples are often prepared by starting with one sample and doing serial dilutions. Unknown samples may be measured at several dilutions so that one of the dilutions may fall into the more reliable region of the standard curve
• replicate Index of technical replicates for a sample. Typical values are 1 or 2. May be used in plotting. Optional
• expected_conc Standard sapmles have expected concentrations. If this column is present, the dilution and starting_conc are optional and will not be used. This column does not apply to non-Standard samples

Main error.model supported: drc, classical_norm, classical_t4, classical_mixnorm, classical_lar1, gh_norm, gh_mixnorm, gh_lar1 Also support: classical_replicate_re, gh_replicate_re, gh_tar1 Only two replicates are supported for now for the correlated noise models. Sometimes jags.model fails with one .RNG.seed. The function will increase it by 1 and try again. The function tries three times before giving up.

References

Fong, Y., Wakefield, J., DeRosa, S., Frahm, N. (2012) A robust Bayesian random effects model for nonlinear calibration problems, Biometrics, 68:1103-1112.

Examples

set.seed(1)
log.conc=log(1e4)-log(3)*9:0
n.replicate=2
fi=simulate1curve (p.eotaxin[1,], rep(log.conc,each=n.replicate), sd.e=0.3)
dat.std=data.frame(fi, expected_conc=exp(rep(log.conc,each=n.replicate)), analyte="test", 
    assay_id="assay1", sample_id=NA, well_role="Standard", dilution=rep(3**(9:0), each=n.replicate))
# add unknown
dat.unk=rbind(
      data.frame(fi=exp(6.75), expected_conc=NA, analyte="test", assay_id="assay1", 
        sample_id=1, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(6.70), expected_conc=NA, analyte="test", assay_id="assay1", 
        sample_id=2, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(3), expected_conc=NA, analyte="test", assay_id="assay1", 
        sample_id=3, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(4.4), expected_conc=NA, analyte="test", assay_id="assay1", 
        sample_id=4, well_role="Unknown", dilution=10)
)
dat=rbind(dat.std, dat.unk)
# second plate
fi=simulate1curve (p.eotaxin[2,], rep(log.conc,each=n.replicate), sd.e=0.3)
dat.std=data.frame(fi, expected_conc=exp(rep(log.conc,each=n.replicate)), analyte="test", 
    assay_id="assay2", sample_id=NA, well_role="Standard", dilution=rep(3**(9:0), each=n.replicate))
# add unknown
dat.unk=rbind(
      data.frame(fi=exp(6.75), expected_conc=NA, analyte="test", assay_id="assay2", 
        sample_id=1, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(6.70), expected_conc=NA, analyte="test", assay_id="assay2", 
        sample_id=2, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(3), expected_conc=NA, analyte="test", assay_id="assay2", 
        sample_id=3, well_role="Unknown", dilution=1)
    , data.frame(fi=exp(4.4), expected_conc=NA, analyte="test", assay_id="assay2", 
        sample_id=4, well_role="Unknown", dilution=10)
)
dat=rbind(dat, dat.std, dat.unk)

fits = bcrm(log(fi)~expected_conc, dat, error.model="gh_norm", informative.prior=TRUE, n.iter=1e4)
par(mfrow=c(1,2))
plot(fits)



# takes longer

# Example from Fong et al. (2012) 
fits.t4 = bcrm (log(fi)~expected_conc, dat.QIL3, error.model="gh_t4", informative.prior=TRUE)
par(mfrow=c(2,3))
plot(fits.t4)

fits.norm = bcrm (log(fi)~expected_conc, dat.QIL3, error.model="gh_norm", informative.prior=TRUE)
par(mfrow=c(2,3))
plot(fits.norm)