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Reads the fits that MO.Affinity Analysis made to each merge set. These are included in Compare Results (Chart and Grid) and Dose-Response (Grouped) exports.

Usage

read_mst_fit(path)

Arguments

path

Path to an .xlsx file exported from MO.Affinity Analysis, or a .moc or .nta project file.

Value

A tibble with one row per merge set, with columns:

  • series, merge_set, target, target_concentration and ligand identify the merge set. series is missing for Grid exports.

  • model: the fit model, "kd" or "hill".

  • unbound and bound: the response of the unbound and bound states.

  • kd and kd_confidence (Kd model): the dissociation constant and its confidence, in molar.

  • target_concentration_fit (Kd model): the target concentration used in the fit, which may differ from the nominal target_concentration if it was a free parameter.

  • ec50, ec50_confidence and hill (Hill model): the half-maximal concentration, its confidence, and the Hill coefficient.

  • std_dev: the standard deviation of the residuals.

Grid exports also include fit statistics such as std_error, reduced_chi_sq and signal_to_noise. MO.Affinity Analysis project files (.nta) give one row per merge set per model fitted, with standard errors instead of confidences; see the Project files section of read_mst().

Examples

read_mst_fit(tidymst_example("dppr10-cy5_compare-fnorm.xlsx"))
#> # A tibble: 2 × 12
#>   series merge_set      target target_concentration ligand model   bound unbound
#>    <int> <chr>          <chr>                 <dbl> <chr>  <chr>   <dbl>   <dbl>
#> 1      1 dPPR10-Cy5 Tr… atpH-…           0.00000005 dPPR1… kd    8.52e+2   1093.
#> 2      2 dPPR10-Cy5 Tr… NEAT1…           0.00000005 dPPR1… kd    4.67e-4    971.
#> # ℹ 4 more variables: kd <dbl>, target_concentration_fit <dbl>, std_dev <dbl>,
#> #   kd_confidence <dbl>
read_mst_fit(tidymst_example("dsnppr10_compare-delta-fnorm.xlsx"))
#> # A tibble: 2 × 12
#>   series merge_set  target target_concentration ligand model bound unbound  hill
#>    <int> <chr>      <chr>                 <dbl> <chr>  <chr> <dbl>   <dbl> <dbl>
#> 1      1 dsnPPR10 … RNAat…           0.00000005 dsnPP… hill   841.   1061.  1.35
#> 2      2 dsnPPR10 … RNAKP…           0.00000005 dsnPP… hill   973.    972.  1.8 
#> # ℹ 3 more variables: ec50 <dbl>, std_dev <dbl>, ec50_confidence <dbl>