Confirmacion de C-F con Raman

INFORMACION BIBLIOGRAFICA

Articulos cientificos:

• GUIA: https://norden.diva-portal.org/smash/get/diva2:1201324/FULLTEXT01.pdf
  
• Articulo 1: https://www.sciencedirect.com/science/article/pii/S004896972205392X
  
• Articulo 2: https://pubs.aip.org/aip/jcp/article-abstract/50/7/2823/531623/Raman-Scattering-and-Band-Assignments-in?redirectedFrom=fulltext
  

FUNCIONES Y LIBRERIAS

ESPECTROS A COMPARAR

#=====================
# CARGA
#=====================

teflon <- procesar(leer_raman("C:\\Users\\Usuario\\Documents\\CHEMA\\R\\Raman\\teflon_patron.csv"))
muestra <- procesar(leer_raman("C:\\Users\\Usuario\\Documents\\CHEMA\\R\\Raman\\muestra_problema.csv"))

##CALCULOS

##RESULTADOS

ggplot(data_plot, aes(shift, intensity, color=sample)) +
  geom_line(linewidth=1) +
  facet_wrap(~region, scales="free_x") +
  scale_x_reverse() +
  theme_bw(base_size=14) +
  labs(
    title="Comparación Raman",
    x="Raman shift (cm⁻¹)",
    y="SNV intensity"
  ) +
  geom_vline(xintercept=c(731,750,840), linetype="dashed") +
  geom_vline(xintercept=c(1200,1400), linetype="dotted")

#=====================
# CORRELACION ESPECTRAL
#=====================

corr_sym <- cor(teflon_sym$intensity, muestra_sym$intensity)
corr_asym <- cor(teflon_asym$intensity, muestra_asym$intensity)

cat("Coincidencia C-F simétrico:", round(corr_sym*100,2), "%\n")

## Coincidencia C-F simétrico: 74.72 %

cat("Coincidencia C-F asimétrico:", round(corr_asym*100,2), "%\n")

## Coincidencia C-F asimétrico: 88.1 %

#=====================