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report standard error (SE) instead of standard deviations

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Daniel Bauer
2020-09-15 14:09:36 +02:00
parent 7116142c2a
commit 1e27cfd457
5 changed files with 198 additions and 197 deletions
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13
src/error_analysis.rs
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@@ -43,16 +43,17 @@ pub fn run_bootstrap(cfg: &Config, ds: Dataset, P: &[f64], num_runs: usize) -> (
perform_wham(cfg, &rnd_weighted_dataset).unwrap().0
}).collect();
// Evaulate standard deviation of P per bin
let mut P_std = vec![0.0; ds.num_bins];
// Standard error (SE) of P per bin
// SE = SD/sqrt(n)
let mut P_se = vec![0.0; ds.num_bins];
for bin in 0..ds.num_bins {
let Ps = bootstrapped_Ps.iter().map(|window| window[bin]).collect::<Vec<f64>>();
P_std[bin] = statistics::sd(&Ps, 1, num_runs);
P_se[bin] = statistics::sd(&Ps, 1, num_runs)/(num_runs as f64).sqrt();
}
// A_std by error propagation
let A_std = P_std.iter().zip(P.iter()).map(|(std,P)| ds.kT*1.0/P*std).collect();
(P_std, A_std)
// SE of A by error propagation
let A_se = P_se.iter().zip(P.iter()).map(|(se,P)| ds.kT*1.0/P*se).collect();
(P_se, A_se)
}
#[cfg(tests)]