inst/extdata added

inst/extdata/element_weights.csv

@@ -0,0 +1,24 @@
+"","element","weight","no_cations","no_oxigens","pure",
+"1","SiO2",28.0855,1,2,Si,
+"2","B2O3",10.811,2,3,B,
+"3","Al2O3",26.98154,2,3,Al,
+"4","TiO2",47.9,1,2,Ti,
+"5","FeO",55.847,1,1,Fe
+"6","Fe2O3",55.847,1,1,Fe3
+"7","MgO",24.305,1,1,Mg,
+"8","MnO",54.938044,1,1,Mn,
+"9","Mn2O3",157.8743,2,3,Mn3,
+"10","ZnO",65.38,1,1,Zn,
+"11","Li2O",6.941,2,1,Li,
+"12","Cr2O3",51.9961,2,3,Cr,
+"13","K2O",39.0983,2,1,K,
+"14","CaO",40.08,1,1,Ca,
+"15","SrO",87.62,1,1,Sr,
+"16","Na2O",22.98977,2,1,Na,
+"17","Y2O3",225.81,2,3,Y,
+"18","Ce2O3",172.12,2,3,Ce,
+"19","La2O3",325.81,2,3,La,
+"20","F",18.998403,1,1,F,
+"21","H2O_plus",1.00784,2,1,OH,
+"22","H2O_minus",1.00784,2,1,OH,
+"23","H2O",1.00784,2,1,OH,

inst/extdata/epidote_DHZ.csv

@@ -0,0 +1,7 @@
+"","specimen","mineral","SiO2","TiO2","Al2O3","Fe2O3","Mn2O3","Y2O3","Ce2O3","La2O3","FeO","MnO","MgO","CaO","Na2O","K2O","H2O_plus","H2O_minus"
+"1",1,"zoisite",41.64,0.02,33.38,0.11,NA,NA,NA,NA,NA,0.05,0,23.97,0.45,0.05,NA,NA
+"2",2,"clinozoisite",39.5,0.13,31.78,1.61,NA,NA,NA,NA,0.35,0.03,0.34,23.78,0.1,NA,2.1,NA
+"3",3,"epidote",38.44,0.15,30.91,7.62,NA,NA,NA,NA,NA,0.11,0.06,23.73,0.02,0,NA,NA
+"4",4,"epidote",36.96,0.5,16.08,23.06,NA,NA,NA,NA,NA,0.1,0.03,22.02,0.02,0.02,NA,NA
+"5",5,"piemontite",37.06,0.24,21.86,2.21,15.44,NA,NA,NA,NA,NA,0.05,21.73,0.02,NA,NA,NA
+"6",6,"allanite",30.82,0.71,14.83,7.71,NA,1.03,7.28,11.43,9.11,5.16,0.45,8.83,NA,NA,1.5,NA

inst/extdata/garnet_DHZ.csv

@@ -0,0 +1,7 @@
+"","specimen","mineral","SiO2","TiO2","Al2O3","Cr2O3","Fe2O3","FeO","MnO","MgO","CaO"
+"1",1,"pyrope",41.33,0.28,21.83,1.73,1.44,9,0.44,19.6,4.4
+"2",2,"almandine",36.7,0.75,21.4,NA,NA,29.9,1.14,0.9,9.02
+"3",3,"spessartine",36.34,0.1,20.25,NA,0.92,7.3,34.51,NA,0.44
+"4",4,"grossular",39.04,0.12,20.43,NA,3.29,1.81,0.34,0.73,34.29
+"5",5,"andradite",36.48,0.5,6.8,NA,21.94,3.33,0.56,0,30.22
+"6",6,"uvarovite",36.77,NA,8.36,13.72,5.85,NA,0.22,0.27,34.56

inst/extdata/mcdon_sun_1995.csv

@@ -0,0 +1,77 @@
+element,element_2,unit,value
+Li,,ppm,1.5
+Be,,ppm,0.025
+B,,ppm,0.9
+C,,wt%,3.5
+N,,ppm,"3,180"
+F,,ppm,60
+Na,,ppm,5100
+Mg,,wt%,9.65
+Al,al27,wt%,0.86
+Si,si29,wt%,10.65
+P,p31,ppm,"1,080"
+S,,wt%,5.4
+Cl,,ppm,680
+K,,ppm,550
+Ca,ca43,wt%,0.925
+Sc,sc45,ppm,5.92
+Ti,ti49,ppm,440
+V,,ppm,56
+Cr,,ppm,2.65
+Mn,,ppm,1.92
+Fe,,wt%,18.1
+Co,,ppm,500
+Ni,,ppm,"10,500"
+Cu,,ppm,120
+Zn,,ppm,310
+Ga,,ppm,9.2
+Ge,,ppm,31
+As,,ppm,1.85
+Se,,ppm,21
+Br,,ppm,3.57
+Rb,,ppm,2.3
+Sr,sr88,ppm,7.25
+Y,y89,ppm,1.57
+Zr,,ppm,3.82
+Nb,nb93,ppm,0.24
+Mo,,ppm,0.9
+Ru,,ppm,0.71
+Rh,,ppm,0.13
+Pd,,ppm,0.55
+Ag,,ppm,0.2
+Cd,,ppm,0.71
+In,,ppm,0.08
+Sn,,ppm,2
+Sb,,ppm,0.14
+Te,,ppm,2
+I,,ppm,0.45
+Cs,,ppm,0.19
+Ba,,ppm,2
+La,la139,ppm,0.237
+Ce,ce140,ppm,0.613
+Pr,pr141,ppm,0.0928
+Nd,nd146,ppm,0.457
+Sm,sm147,ppm,0.148
+Eu,eu153,ppm,0.0563
+Gd,gd157,ppm,0.199
+Tb,tb159,ppm,0.0361
+Dy,dy163,ppm,0.246
+Ho,ho165,ppm,0.0546
+Er,er166,ppm,0.16
+Tm,tm169,ppm,0.0247
+Yb,yb172,ppm,0.161
+Lu,lu175,ppm,0.0246
+Hf,hf177,ppm,0.103
+Ta,ta181,ppm,0.0136
+W,,ppm,0.093
+Re,,ppm,0.04
+Os,,ppm,0.49
+Ir,,ppm,0.455
+Pt,,ppm,1.01
+Au,,ppm,0.14
+Hg,,ppm,0.3
+Tl,,ppm,0.14
+Pb,,ppm,2
+Bi,,ppm,0.11
+Th,,ppm,0.029
+U,,ppm,0.0074

inst/extdata/tourmaline_DHZ.csv

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+"","specimen","mineral","SiO2","B2O3","Al2O3","TiO2","FeO","Fe2O3","MgO","MnO","ZnO","Li2O","K2O","CaO","SrO","Na2O","F","H2O_plus","H2O_minus"
+"1",1,"dravite",34.86,10.21,22.54,1.57,6.67,8.7,8.39,0,0,0,0.06,2.58,0,1.48,0.3,2.77,NA
+"2",2,"uvite",35.96,11.49,26.8,0.62,0.41,NA,15.2,NA,NA,0,0,5.5,NA,0.13,1.49,2.7,0.04
+"3",3,"schorlite",34.38,10.12,31.76,0.17,13.15,2.99,0.07,0.89,0.12,NA,0.04,0.02,NA,2.35,1.4,2.83,NA
+"4",4,"elbaite",36.36,10.3,40.48,NA,3.64,NA,0.09,1.05,NA,1.27,0.44,0.67,NA,2.2,0.1,3.64,0.08
+"5",5,"mn_rich",35.52,10.61,37.9,0.05,0.14,NA,0.01,8.18,0.02,0.73,0.02,0.18,NA,2.64,1.13,3.04,NA
+"6",6,"b_rich",31.44,15.25,46.53,0.02,0.05,NA,NA,0.02,0.09,0.56,0,1.74,NA,1.33,0.12,3.25,NA