Различия
Здесь показаны различия между двумя версиями данной страницы.
Предыдущая версия справа и слева Предыдущая версия Следующая версия | Предыдущая версия | ||
recalc:grt_tindle [2015/08/20 11:41] admin |
recalc:grt_tindle [2016/03/24 15:12] admin |
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Строка 1: | Строка 1: | ||
+ | ====== Grt: Tindle ====== | ||
+ | Метод расчета на 12 атомов кислорода для гранатов. | ||
+ | |||
+ | === Details === | ||
+ | |||
+ | ^ Reference | | | ||
+ | ^ Input | SiO2_wtp, Al2O3_wtp, TiO2_wtp, Cr2O3_wtp, Fe2O3_wtp, FeO_wtp, MnO_wtp, MgO_wtp, CaO_wtp, Na2O_wtp, K2O_wtp, BaO_wtp, NiO_wtp, ZnO_wtp, BeO_wtp, P2O5_wtp, V2O5_wtp, CoO_wtp, GeO2_wtp, ZrO2_wtp, Cs2O_wtp, PbO_wtp, SO3_wtp, CO2_wtp, F_wtp, Cl_wtp | | ||
+ | ^ Results | pfu, Fe_p3_pfu, Fe_p2_pfu | | ||
+ | |||
+ | <use:recalc.grt_tindle> | ||
+ | <test:recalc.grt_tindle> | ||
+ | |||
+ | <WRAP center round todo 60%> | ||
+ | * заголовок | ||
+ | * краткое описание | ||
+ | * статья | ||
+ | * ссылка | ||
+ | * <del>карточка</del> | ||
+ | * подробное описание | ||
+ | * <del>код</del> | ||
+ | * тест | ||
+ | </WRAP> | ||
+ | |||
+ | === Source === | ||
+ | |||
+ | <Code linenums lang-r> | ||
+ | recalc.grt_tindle <- function (wtp_data, ...) { | ||
+ | |||
+ | base_names <- c("SiO2_wtp", "TiO2_wtp", "Al2O3_wtp", "Cr2O3_wtp", | ||
+ | "FeO_wtp", "MnO_wtp", "MgO_wtp", "NiO_wtp", | ||
+ | "ZnO_wtp", "CaO_wtp"); | ||
+ | |||
+ | data <- selectNames(wtp_data,base_names); | ||
+ | |||
+ | anions_factor <- c(2 / 60.09, 2 / 79.9, 3 / 101.96, 3 / 152, | ||
+ | 1 / 71.85, 1 / 70.94, 1 / 40.31, 1 / 74.708, | ||
+ | 1 / 81.38, 1 / 56.08); | ||
+ | |||
+ | cations_factor <- c(1 / 60.09, 1 / 79.9, 2 / 101.96, 2 / 152, | ||
+ | 1 / 71.85, 1 / 70.94, 1 / 40.31, 1 / 74.708, | ||
+ | 1 / 81.38, 1 / 56.08); | ||
+ | |||
+ | raw_anions <- rowApply(`*`, data, anions_factor); | ||
+ | raw_cations <- rowApply(`*`, data, cations_factor); | ||
+ | |||
+ | raw_anions_sum <- rowSums(raw_anions); | ||
+ | raw_cations_sum <- rowSums(raw_cations); | ||
+ | |||
+ | based_on_oxygen <- 12 * raw_cations / raw_anions_sum; | ||
+ | |||
+ | based_on_oxygen_sum <- rowSums(based_on_oxygen); | ||
+ | |||
+ | names(based_on_oxygen) <- c("Si_pfu", "Ti_pfu", "Al_pfu", "Cr_pfu", | ||
+ | "Fe_pfu", "Mn_pfu", "Mg_pfu", "Ni_pfu", | ||
+ | "Zn_pfu", "Ca_pfu"); | ||
+ | |||
+ | fe3_em <- rep(5, nrow(based_on_oxygen)) - | ||
+ | ( based_on_oxygen$Si_pfu + based_on_oxygen$Ti_pfu + | ||
+ | based_on_oxygen$Al_pfu + based_on_oxygen$Cr_pfu ); | ||
+ | |||
+ | fe3_em <- ifelse(fe3_em < 0, 0, fe3_em); | ||
+ | |||
+ | fe2_em <- based_on_oxygen$Fe_pfu - fe3_em; | ||
+ | |||
+ | fe3 <- ifelse(fe3_em > based_on_oxygen$Fe_pfu, based_on_oxygen$Fe_pfu, fe3_em); | ||
+ | fe2 <- ifelse(fe3_em > based_on_oxygen$Fe_pfu, 0, fe2_em); | ||
+ | |||
+ | intermid_12 <- based_on_oxygen; | ||
+ | intermid_12$Fe_p2_pfu <- fe2; | ||
+ | intermid_12$Fe_p3_pfu <- fe3; | ||
+ | |||
+ | intermid_12 <- intermid_12[, c("Si_pfu", "Ti_pfu", "Al_pfu", "Cr_pfu", | ||
+ | "Fe_p3_pfu", "Fe_p2_pfu", "Mn_pfu", "Mg_pfu", | ||
+ | "Ni_pfu", "Zn_pfu", "Ca_pfu")]; | ||
+ | |||
+ | mult_factor <- c(2, 2, 1.5, 1.5, 1.5, 1, 1, 1, 1, 1, 1); | ||
+ | |||
+ | |||
+ | intermid_12 <- rowApply(`*`, intermid_12, mult_factor); | ||
+ | intermid_12_sum <- rowSums(intermid_12); | ||
+ | |||
+ | f_factor <- 12 / intermid_12_sum; | ||
+ | |||
+ | result_12 <- rowApply(`/`, intermid_12, mult_factor); | ||
+ | |||
+ | result_12 <- result_12 * f_factor; | ||
+ | |||
+ | return(cbind(Name = wtp_data$Name, result_12, | ||
+ | Fe_pfu = result_12$Fe_p2_pfu + result_12$Fe_p3_pfu)); | ||
+ | } | ||
+ | </Code> |