powerHaDeX (version 1.0)

test_semiparametric: Semiparametric test for differences in deuteration levels

Description

This function performs the semiparametric test for differences in deuteration levels. Its input and output are compatible with the function calculate_hdx_power.

Usage

test_semiparametric(data, significance_level = 0.05)

Arguments

data

data.table with deuteration curves

significance_level

significance level for tests

Value

This function returns a data table compatible with the function calculate_hdx_power.

Details

This function uses truncated_lines. The knots considered in the testing procedure are chosen using ridge regression.

See Also

Other tests:

- test_houde

- test_hdx_analyzer

-test_memhdx_model

Or calculate_hdx_power for estimation of power of tests for differences in deuteration levels.

Examples

# NOT RUN {
theo_spectra_pf_100 <- simulate_theoretical_spectra(sequence = "LVRKDLQN",
                                                    charge = c(3, 5),
                                                    protection_factor = 100,
                                                    times = c(0.167, 5, 10, 30),
                                                    pH = 7.5,
                                                    temperature = 15,
                                                    n_molecules = 500,
                                                    time_step_const = 1,
                                                    use_markov = TRUE)
theo_spectra_pf_200 <- simulate_theoretical_spectra(sequence = "LVRKDLQN",
                                                    charge = c(3, 5),
                                                    protection_factor = 200,
                                                    times = c(0.167, 5, 10, 30),
                                                    pH = 7.5,
                                                    temperature = 15,
                                                    n_molecules = 500,
                                                    time_step_const = 1,
                                                    use_markov = TRUE)

theo_spectra_two_states <- rbind(theo_spectra_pf_100, theo_spectra_pf_200)

deut_curves_p_states <- get_noisy_deuteration_curves(theo_spectra_two_states,
                                                     n_replicates = 4,
                                                     n_experiments = 1,
                                                     reference = 100)[[1]][[1]]
test_semiparametric(deut_curves_p_states)

# }