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Calculate measured mass for each replicate of the experiment

calculate_exp_masses_per_replicate.Rd

Calculate the measured mass from partial results, per each replicate of the experiment.

Usage

calculate_exp_masses_per_replicate(dat)

Arguments

dat

data as imported by the read_hdx function

Value

a data.frame object.

Details

Each replicate of the experiment generates measurements of the mass for obtained charge values for the peptide. This is an effect of the properties of mass spectrometry, that measures the mass to charge ratio (learn more about Mass Spectrometry in the documentation). The possible charge values depend on the sequence of the peptide. The separate measurement (for each replicate in given state in given time point) can be distinguished by the `File` value.

See also

read_hdx calculate_exp_masses calculate_state_uptake

Examples

head(calculate_exp_masses_per_replicate(alpha_dat))
#>      Protein       State    Sequence Start   End      MHP MaxUptake Exposure
#>       <char>      <char>      <char> <int> <int>    <num>     <int>    <num>
#> 1: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    0.000
#> 2: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    0.167
#> 3: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    0.167
#> 4: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    0.167
#> 5: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    1.000
#> 6: db_eEF1Ba ALPHA_Gamma GFGDLKSPAGL     1    11 1061.563         9    1.000
#>                                     File Modification avg_exp_mass
#>                                   <char>       <lgcl>        <num>
#> 1:     Tania_161112_eEF1Ba_KSCN_IMS_seq1           NA     1061.312
#> 2:      Tania_161109_1eEF1Bag_KSCN_10sec           NA     1062.983
#> 3:      Tania_161109_2eEF1Bag_KSCN_10sec           NA     1062.974
#> 4:      Tania_161109_3eEF1Bag_KSCN_10sec           NA     1062.973
#> 5: Tania_161108_1eEF1Bag_compl_KSCN_1min           NA     1064.191
#> 6: Tania_161108_2eEF1Bag_compl_KSCN_1min           NA     1064.085