Расчет на 23 атомов кислорода: SiO2 TiO2 Al2O3 FeO MnO MgO CaO. Расчет валентного железа - по кристалохимии.
Reference | Krogh Ravna The garnet-clinopyroxene Fe2+-Mg geothermometer: an updated calibration, 2000 [ref] |
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Input | SiO2_wtp, Al2O3_wtp, TiO2_wtp, FeO_wtp, MnO_wtp, MgO_wtp, CaO_wtp |
Results | Fe_p3_pfu, Fe_p2_pfu |
source('recalc_common_oxygen.r') recalc.grt_12ox_norm <- function (wtp_data, ...) { ox_group <-c('Name', 'SiO2_wtp','TiO2_wtp', 'Al2O3_wtp', 'FeO_wtp', 'MnO_wtp', 'MgO_wtp', 'CaO_wtp'); wtp_group <- selectNames(wtp_data,ox_group); ox_normed <- recalc.common_oxygen (wtp_group, 12); ox_normed$unnormed_cations <- rowSums(ox_normed[,c('Ti_pfu', 'Al_pfu', 'Fe_pfu', 'Mn_pfu', 'Mg_pfu', 'Ca_pfu')]); normed_cations <- ox_normed[,c('Ti_pfu', 'Al_pfu', 'Fe_pfu', 'Mn_pfu', 'Mg_pfu', 'Ca_pfu')] * (5/ox_normed$unnormed_cations); normed_cations$Si_pfu = 3.0; normed_cations$Fe_p3_pfu <- 2-rowSums(normed_cations[,c('Ti_pfu', 'Al_pfu')]); normed_cations$Fe_p2_pfu <- 3-rowSums(normed_cations[,c('Mn_pfu', 'Mg_pfu', 'Ca_pfu')]); ret <- data.frame(Name=wtp_data$Name,Si_pfu=ox_normed$Si_pfu); return (cbind(ret,normed_cations[,c('Ti_pfu', 'Al_pfu', 'Fe_pfu', 'Mn_pfu', 'Mg_pfu', 'Ca_pfu','Fe_p2_pfu','Fe_p3_pfu')])); }