Calculate data

Calculates values for visualization from input data file - both experimental and theoretical. All parameters are needed.

prepare_dataset(
  dat,
  in_state_first,
  chosen_state_first,
  out_state_first,
  in_state_second,
  chosen_state_second,
  out_state_second
)

Arguments

dat	data frame with data from DynamX file
in_state_first	string in form "state_time" for first state in in time
chosen_state_first	string in form "state_time" for chosen state in in time
out_state_first	string in form "state_time" for first state in out time
in_state_second	string in form "state_time" for second state in in time
chosen_state_second	string in form "state_time" for second state in chosen time
out_state_second	string in form "state_time" for second state in out time

Value

data frame with calculated values

Details

...

This is the first version - multi-state calculations are not supported.

See also

read_hdx

Examples

# load example data
dat <- read_hdx(system.file(package = "HaDeX", "HaDeX/data/KD_180110_CD160_HVEM.csv"))

# prepare dataset for states `CD160` and `CD160_HVEM` in given time parameters
prepare_dataset(dat,
                in_state_first = "CD160_0.001",
                chosen_state_first = "CD160_1",
                out_state_first = "CD160_1440",
                in_state_second = "CD160_HVEM_0.001",
                chosen_state_second = "CD160_HVEM_1",
                out_state_second = "CD160_HVEM_1440") 
#> # A tibble: 41 x 28
#>    Sequence Start   End Med_Sequence frac_exch_state~ err_frac_exch_s~
#>    <chr>    <int> <int>        <dbl>            <dbl>            <dbl>
#>  1 INITSSA~     1    15          8              0.842         0.00173 
#>  2 LICTVW      16    21         18.5            0.320         0.00469 
#>  3 LICTVWH~    16    29         22.5            0.680         0.00226 
#>  4 ICTVWHK~    17    29         23              0.733         0.00163 
#>  5 FVVFL       30    34         32              0.250         0.00256 
#>  6 LCKDRSG~    34    48         41              0.941         0.00107 
#>  7 LCKDRSG~    34    49         41.5            0.922         0.000863
#>  8 LCKDRSG~    34    51         42.5            0.883         0.000639
#>  9 LCKDRSG~    34    69         51.5            0.902         0.00100 
#> 10 CKDRSGD~    35    48         41.5            0.940         0.00170 
#> # ... with 31 more rows, and 22 more variables: frac_exch_state_2 <dbl>,
#> #   err_frac_exch_state_2 <dbl>, diff_frac_exch <dbl>, err_frac_exch <dbl>,
#> #   abs_frac_exch_state_1 <dbl>, err_abs_frac_exch_state_1 <dbl>,
#> #   abs_frac_exch_state_2 <dbl>, err_abs_frac_exch_state_2 <dbl>,
#> #   abs_diff_frac_exch <dbl>, err_abs_diff_frac_exch <dbl>,
#> #   avg_theo_in_time_1 <dbl>, err_avg_theo_in_time_1 <dbl>,
#> #   avg_theo_in_time_2 <dbl>, err_avg_theo_in_time_2 <dbl>,
#> #   diff_theo_frac_exch <dbl>, err_diff_theo_frac_exch <dbl>,
#> #   abs_avg_theo_in_time_1 <dbl>, err_abs_avg_theo_in_time_1 <dbl>,
#> #   abs_avg_theo_in_time_2 <dbl>, err_abs_avg_theo_in_time_2 <dbl>,
#> #   abs_diff_theo_frac_exch <dbl>, err_abs_diff_theo_frac_exch <dbl>