Px: Putirka, 2008

Cations on the basis of 6 oxygens, Fe2/3 by Lindley.

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recalc.px_putirka <- function (wtp_data, ...)
{
    ox_names <- c('SiO2_wtp','TiO2_wtp', 'Al2O3_wtp', 'FeO_wtp', 'MnO_wtp', 'MgO_wtp', 'CaO_wtp', 'Na2O_wtp', 'K2O_wtp', 'Cr2O3_wtp');
    pfu_names <-c('Si_pfu','Ti_pfu', 'Al_pfu', 'Fe_pfu', 'Mn_pfu', 'Mg_pfu', 'Ca_pfu', 'Na_pfu', 'K_pfu', 'Cr_pfu');
    wtp_group <- selectNames(wtp_data,ox_names);
 
    mwt <- c(60.0843, 79.8788, 101.961, 71.8464, 70.9375, 40.3044, 56.0774, 61.9789, 94.196, 151.9982);
    oxnum <- c(2,2,3,1,1,1,1,1,1,3);
    catnum <- c(1,1,2,1,1,1,1,2,2,2);
 
    mw <- rowApply('/', wtp_group, mwt);
    oxc <- rowApply('*', mw, oxnum);
    ox_factor <- 6/rowSums(oxc);
    
    pfu <- rowApply('*', mw, catnum) * ox_factor;
    names(pfu) <- pfu_names;
    pfu$Name <- wtp_data$Name;
    pfu$Al_c4_pfu <- 2 - pfu$Si_pfu;
    pfu$Al_c6_pfu <- ifelse(pfu$Al_pfu - pfu$Al_c4_pfu > 0,
                            pfu$Al_pfu - pfu$Al_c4_pfu,
                            0);
 
    pfu$Fe_p3_pfu <- ifelse(pfu$Na_pfu+pfu$Al_c4_pfu-pfu$Al_c6_pfu-2*pfu$Ti_pfu-pfu$Cr_pfu>0,
                            pfu$Na_pfu+pfu$Al_c4_pfu-pfu$Al_c6_pfu-2*pfu$Ti_pfu-pfu$Cr_pfu,
                            0);
    pfu$Fe_p2_pfu <- pfu$Fe_pfu - pfu$Fe_p3_pfu;
    
    return (pfu[,c('Name',pfu_names,'Al_c4_pfu','Al_c6_pfu','Fe_p2_pfu','Fe_p3_pfu')]);
}