In case anyone is interested here is the amphibole mineral recalculation code. It was written a long time ago in FORTRAN by Jay Ague and I only translated it into VB.
Sub ConvertAmphibole(INORM As Integer, percents() As Single, sample() As TypeSample)
' Amphibole calculation (COMPUTES CALCIC AMPHIBOLE STRUCTURAL FORMULAS)
' Originally written in FORTRAN by JAY AGUE, translated to Visual Basic by John Donovan
' Calls ConvertAmphiboleNORM, ConvertAmphiboleAVER, ConvertAmphiboleSUM, ConvertAmphiboleGETFE and ConvertAmphiboleAUTOAV routines
ierror = False
On Error GoTo ConvertAmphiboleError
Const SSTRING1$ = "-----------------------------------------------------------"
Const SSTRING2$ = " ------ "
Dim j As Integer, ip As Integer
Dim IFE As Integer ' 1 = Fe2O3 analyzed, 2 = Fe2O3 not analyzed
Dim IDEBUG As Integer, IBIG As Integer, NCODE As Integer
Dim PRESS2 As Single, PRESS23 As Single, ATOPT As Single
Dim MNX As Single, MGMFT As Single, MGB As Single, MGTOFE As Single, MGFET As Single
Dim WTPCT As Single, WTT As Single, RAMGFE As Single
Dim TETAL As Single, OCTA As Single, OCTAL As Single, ANAM4 As Single, ANA12 As Single
Dim FE2X As Single, FE3X As Single, XALVI As Single, tix As Single, CAX As Single, ANAM4X As Single
Dim FERAT As Single, HALMO As Single, HALMF As Single, HALCL As Single, ASITE As Single
Dim WTPCF As Single, WTPCCL As Single, XFOXOH As Single, HALOG As Single
Dim FELOG As Single, OC1 As Single, OC2 As Single
Dim d As Double
Dim astring As String, bstring As String
Dim WTPC(1 To MAXAMPHI%) As Single, ATOP(1 To MAXAMPHI%) As Single, PMOL(1 To MAXAMPHI%) As Single
Dim ANIO(1 To MAXAMPHI%) As Single, CAT1(1 To MAXAMPHI%) As Single, ANSFO(1 To MAXAMPHI%) As Single
Dim CAT2(1 To MAXAMPHI%) As Single, CAT3(1 To MAXAMPHI%) As Single, CATF(1 To MAXAMPHI%) As Single
Dim CAT4(1 To MAXAMPHI%) As Single, CAT5(1 To MAXAMPHI%) As Single
Dim esym(1 To MAXAMPHI%) As String
' Pre-load small values
For j% = 1 To MAXAMPHI%
WTPC!(j%) = NotAnalyzedValue!
Next j%
IDEBUG% = 0
IBIG% = 0
' Print calculation
Call IOWriteLog(vbCrLf & "Amphibole Formula Calculations (from Jay Ague AMPHI.F code)...")
' Assume Fe2O3 not analyzed
IFE% = 2 ' 1 = Fe2O3 analyzed, 2 = Fe2O3 not analyzed
WTPCT! = 0#
WTT! = 0#
' Load oxide percents
For j% = 1 To sample(1).LastChan%
ip% = IPOS1%(MAXELM%, sample(1).Elsyms$(j%), Symlo$())
If ip% <> 0 Then
If ip% = 14 Then WTPC!(1) = percents!(j%) ' SiO2
If ip% = 22 Then WTPC!(2) = percents!(j%) ' TiO2
If ip% = 13 Then WTPC!(3) = percents!(j%) ' Al2O3
If ip% = 26 Then
If IFE% = 1 Then
WTPC!(4) = 0# ' Fe2O3 (just zero out for now)
WTPC!(5) = percents!(j%) ' FeO
Else
WTPC!(4) = 0# ' Fe2O3
WTPC!(5) = percents!(j%) ' FeO
End If
End If
If ip% = 12 Then WTPC!(6) = percents!(j%) ' MgO
If ip% = 25 Then WTPC!(7) = percents!(j%) ' MnO
If ip% = 20 Then WTPC!(8) = percents!(j%) ' CaO
If ip% = 11 Then WTPC!(9) = percents!(j%) ' Na2O
If ip% = 19 Then WTPC!(10) = percents!(j%) ' K2O
If ip% = 9 Then WTPC!(11) = percents!(j%) ' F
If ip% = 17 Then WTPC!(12) = percents!(j%) ' Cl
End If
Next j%
' Sum total
WTT! = 0#
For j% = 1 To MAXAMPHI%
WTT! = WTT! + WTPC!(j%)
Next j%
' Begin calculations
For j% = 1 To MAXAMPHI%
PMOL!(1) = WTPC!(1) / 60.09: esym$(1) = "Si"
PMOL!(2) = WTPC!(2) / 79.9: esym$(2) = "Ti"
PMOL!(3) = WTPC!(3) / 101.94: esym$(3) = "Al"
PMOL!(4) = WTPC!(4) / 159.7: esym$(4) = "Fe+3"
PMOL!(5) = WTPC!(5) / 71.85: esym$(5) = "Fe+2"
PMOL!(6) = WTPC!(6) / 40.32: esym$(6) = "Mg"
PMOL!(7) = WTPC!(7) / 70.94: esym$(7) = "Mn"
PMOL!(8) = WTPC!(8) / 56.08: esym$(8) = "Ca"
PMOL!(9) = WTPC!(9) / 61.982: esym$(9) = "Na"
PMOL!(10) = WTPC!(10) / 94.2: esym$(10) = "K"
PMOL!(11) = WTPC!(11) / 19#: esym$(11) = "F"
PMOL!(12) = WTPC!(12) / 35.457: esym$(12) = "Cl"
If j% <= 2 Then GoTo 102
If j% = 3 Or j% = 4 Then GoTo 103
If j% > 4 Then GoTo 104
' 2 OXYGENS (equivalence)
102:
ATOP!(j%) = PMOL!(j%) * 2#
GoTo 105
' 3 OXYGENS
103:
ATOP!(j%) = PMOL!(j%) * 3#
GoTo 105
' 1 OXYGEN, F, CL
104:
ATOP!(j%) = PMOL!(j%) * 1#
' Next element
105:
WTPCT = WTPCT + WTPC!(j%)
Next j%
WTPCF = WTPC(11) * 0.4211
WTPCCL = WTPC(12) * 0.2256
WTPCT = WTPCT - WTPCF - WTPCCL
ATOPT = 0#
For j% = 1 To MAXAMPHI% - 2
ATOPT = ATOPT + ATOP!(j%)
Next j%
' USE 46 NEGATIVE CHARGES
d# = 23# / ATOPT!
For j% = 1 To MAXAMPHI%
ANIO!(j%) = d * ATOP!(j%)
Next j%
For j% = 1 To MAXAMPHI%
If j% <= 2 Then ANSFO!(j%) = ANIO!(j%) / 2#
If j% = 3 Or j% = 4 Then ANSFO!(j%) = ANIO!(j%) * 0.6666
If j% > 4 And j% <= 8 Then ANSFO!(j%) = ANIO!(j%)
If j% = 9 Or j% = 10 Then ANSFO!(j%) = ANIO!(j%) * 2#
If j% > 10 Then ANSFO!(j%) = ANIO!(j%)
Next j%
' Call routine NORM to perform the structural formula calculations
If IFE% <> 1 Then
Call ConvertAmphiboleNorm(ANSFO!(), CAT1!(), CAT2!(), CAT3!(), CAT4!(), CAT5!())
If ierror Then Exit Sub
End If
' END NORMALIZATION PROCEDURE (FORMULA IS STORED IN ARRAY CAT1-5())
If DebugMode Then
Call IOWriteLog(vbCrLf & "Entered Amphibole Analysis:")
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = Format$("SiO2", a80$)
If j% = 2 Then astring$ = Format$("TiO2", a80$)
If j% = 3 Then astring$ = Format$("Al2O3", a80$)
If j% = 4 Then astring$ = Format$("Fe2O3", a80$)
If j% = 5 Then astring$ = Format$("FeO", a80$)
If j% = 6 Then astring$ = Format$("MgO", a80$)
If j% = 7 Then astring$ = Format$("MnO", a80$)
If j% = 8 Then astring$ = Format$("CaO", a80$)
If j% = 9 Then astring$ = Format$("Na2O", a80$)
If j% = 10 Then astring$ = Format$("K2O", a80$)
If j% = 11 Then astring$ = Format$("F", a80$)
If j% = 12 Then astring$ = Format$("Cl", a80$)
If j% <> 4 Then bstring$ = Format$(Format$(WTPC!(j%), f83$), a80)
If j% = 4 And IFE% = 1 Then bstring$ = Format$(Format$(WTPC!(j%), f83$), a80)
If j% = 4 And IFE% = 2 Then bstring$ = Format$(Format$(" ---- "), a80)
Call IOWriteLog(bstring$ & a4x$ & astring$)
Next j%
Call IOWriteLog(SSTRING2$)
astring$ = Format$("TOTAL", a80$)
bstring$ = Format$(Format$(WTT!, f83$), a80)
Call IOWriteLog(bstring$ & a4x$ & astring$)
astring$ = Format$("TOTAL-OXYGEN EQUIV. OF F,CL")
bstring$ = Format$(Format$(WTPCT!, f83$), a80)
Call IOWriteLog(bstring$ & a4x$ & astring$)
Call IOWriteLog(SSTRING1$)
End If
' Do Fe2O3/FeO calculations (Fe2O3 analyzed)
If IFE% = 1 Then
NCODE = 0
For j% = 1 To MAXAMPHI%
CATF!(j%) = ANSFO!(j%)
Next j%
End If
' Do Fe2O3/FeO calculations (Fe2O3 not analyzed), print out candidate normalizations
If IFE% <> 1 Then
astring$ = a6x$ & Format$("ALL FE2", a80$) & Format$("NORM 1", a80$) & Format$("NORM 2", a80$) & Format$("NORM 3", a80$) & Format$("NORM 4", a80$) & Format$("NORM 5", a80$)
bstring$ = a6x$ & Format$(SSTRING2$, a80$) & Format$(SSTRING2$, a80$) & Format$(SSTRING2$, a80$) & Format$(SSTRING2$, a80$) & Format$(SSTRING2$, a80$) & Format$(SSTRING2$, a80$)
Call IOWriteLog(astring$)
Call IOWriteLog(bstring$)
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = Format$("Si", a60$)
If j% = 2 Then astring$ = Format$("Ti", a60$)
If j% = 3 Then astring$ = Format$("Al", a60$)
If j% = 4 Then astring$ = Format$("Fe3+", a60$)
If j% = 5 Then astring$ = Format$("Fe2+", a60$)
If j% = 6 Then astring$ = Format$("Mg", a60$)
If j% = 7 Then astring$ = Format$("Mn", a60$)
If j% = 8 Then astring$ = Format$("Ca", a60$)
If j% = 9 Then astring$ = Format$("Na", a60$)
If j% = 10 Then astring$ = Format$("K", a60$)
If j% = 11 Then astring$ = Format$("F", a60$)
If j% = 12 Then astring$ = Format$("Cl", a60$)
bstring$ = Format$(Format$(ANSFO!(j%), f84$), a80$) & Format$(Format$(CAT1!(j%), f84$), a80$)
bstring$ = bstring$ & Format$(Format$(CAT2!(j%), f84$), a80$) & Format$(Format$(CAT3!(j%), f84$), a80$)
bstring$ = bstring$ & Format$(Format$(CAT4!(j%), f84$), a80$) & Format$(Format$(CAT5!(j%), f84$), a80$)
Call IOWriteLog$(astring$ & bstring$)
Next j%
Call IOWriteLog(vbNullString)
astring$ = a6x$ & "NORM 1: TOTAL-(NA+K)=15 " & "NORM 2: TOTAL-(NA+CA+K)=13"
Call IOWriteLog$(astring$)
astring$ = a6x$ & "NORM 3: TOTAL-K=15 " & "NORM 4: SI+AL=8.0"
Call IOWriteLog$(astring$)
astring$ = a6x$ & "NORM 5: TOTAL=15.8"
Call IOWriteLog$(astring$)
Call IOWriteLog$(SSTRING1$)
' Call averaging routine to determine final structure
Call ConvertAmphiboleAver(ANSFO!(), CAT1!(), CAT2!(), CAT3!(), CAT4!(), CAT5!(), CATF!(), INORM%)
If ierror Then Exit Sub
End If
' Round values in structural formula (array CATF) to 4 decimal places. If Mg = 0, set to 0.0001 to prevent errors.
For j% = 1 To MAXAMPHI%
CATF!(j%) = MiscSetRounding2!(CATF!(j%), Int(4))
Next j%
If CATF!(6) = 0# Then CATF!(6) = 0.0001
' Compute mole fractions, molar ratios and pressure of crystallazation using
' Schmidt (1992) calibration of the Hammarstrom and Zen (1986) barometer
' TETRAHEDRAL AL
If CATF!(1) < 8 Then
TETAL = 8# - CATF!(1)
Else
TETAL = 0#
End If
' OCTAHEDRAL AL
OCTAL = CATF(3) - TETAL
If (OCTAL < 0#) Then TETAL = CATF(3)
If (OCTAL < 0#) Then OCTAL = 0#
' NA ON M4 SITE
ANAM4 = 7# - (CATF(8) + CATF(4) + CATF(5) + CATF(6) + CATF(7) + OCTAL + CATF(2))
If (ANAM4 < 0#) Then Call IOWriteLog(a6x$ & "***OCTAHEDRAL NA IS NEGATIVE***")
' 12-FOLD NA
If (ANAM4 < 0#) Then ANA12 = CATF(9)
If (ANAM4 >= 0#) Then ANA12 = CATF(9) - 1# * ANAM4
If ((ANAM4 >= 0#) And (ANAM4 > CATF(9))) Then ANA12 = 0#
If (ANAM4 < 0#) Then Call IOWriteLog(a6x$ & "***ALL NA ASSIGNED TO 12-FOLD SITE***")
If (ANAM4 < 0#) Then ANAM4 = 0#
If (ANAM4 > CATF(9)) Then ANAM4 = CATF(9)
' TOTAL OCTAHEDRAL ATOMS
OCTA = ANAM4 + OCTAL + CATF(8) + CATF(4) + CATF(5) + CATF(6) + CATF(2) + CATF(7)
' X - ALVI
XALVI = OCTAL / OCTA
' X-FE2+
FE2X = CATF(5) / OCTA
' X-FE3+
FE3X = CATF(4) / OCTA
' X - MG
MGMFT = CATF(6) / OCTA
' X - TI
tix = CATF(2) / OCTA
' X - MN
MNX = CATF(7) / OCTA
' X - CA
CAX = CATF(8) / OCTA
'X - NAM4
ANAM4X = ANAM4 / OCTA
' A-SITE OCCUPANCY
ASITE = ANA12 + CATF(10)
' X - F
HALMF = CATF(11) / 2#
If (HALMF = 0#) Then HALMF = 0.00001
' X - CL
HALCL = CATF(12) / 2#
If (HALCL = 0#) Then HALCL = 0.00001
' X - OH
HALMO = 1# - HALMF - HALCL
If (HALMO <= 0#) Then HALMO = 0.00001
' COMPUTE LOG X-F/X-OH
If HALMF / HALMO > 0# Then XFOXOH = MiscConvertLog10#(CDbl(HALMF / HALMO))
' COMPUTE LOG X-F/X-CL
If HALMF / HALCL > 0# Then HALOG = MiscConvertLog10#(CDbl(HALMF / HALCL))
' COMPUTE LOG MG/FE2+
If MGMFT / FE2X > 0# Then RAMGFE = MiscConvertLog10#(CDbl(MGMFT / FE2X))
' COMPUTE LOG (MG/(FE2+ + FE3+))
If MGMFT / (FE2X + FE3X) > 0# Then MGFET = MiscConvertLog10#(CDbl(MGMFT / (FE2X + FE3X)))
' COMPUTE LOG FE2+/FE3+
If (FE3X = 0#) Then FE3X = 0.0001
If FE2X / FE3X > 0# Then FELOG = MiscConvertLog10#(CDbl(FE2X / FE3X))
' COMPUTE MG/(MG+FE2+)
MGB = CATF(6) / (CATF(6) + CATF(5))
' COMPUTE ALVI+FE3+ + 2TI+ASITE
OC1 = OCTAL + CATF(4) + 2# * CATF(2) + ASITE
' COMPUTE ALVI+FE3+ +2TI
OC2 = OCTAL + CATF(4) + 2# * CATF(2)
' COMPUTE FE2+/(FE2+ + FE3+)
FERAT = CATF(5) / (CATF(5) + CATF(4))
' COMPUTE MG/(MG+FE TOTAL)
MGTOFE = CATF(6) / (CATF(6) + CATF(4) + CATF(5))
' Compute pressure, both with total Al (all Fe2+) and total Al (Fe2+ - Fe3+)
PRESS2! = 5.03 * ANSFO!(3) - 3.92
PRESS23! = 5.03 * CATF!(3) - 3.92
If PRESS2! < 0# Or IFE = 1 Then PRESS2! = 0#
If PRESS23! < 0# Then PRESS23! = 0#
Call IOWriteLog(a6x$ & "STRUCTURAL FORMULA:")
Call IOWriteLog(a8x$ & "SI " & Format$(Format$(CATF(1), f84$), a80$))
Call IOWriteLog(a8x$ & "TI " & Format$(Format$(CATF(2), f84$), a80$))
Call IOWriteLog(a8x$ & "AL IV" & Format$(Format$(TETAL!, f84$), a80$) & a8x$ & "AL VI" & Format$(Format$(OCTAL!, f84$), a80$))
Call IOWriteLog(a8x$ & "FE3+ " & Format$(Format$(CATF(4), f84$), a80$))
Call IOWriteLog(a8x$ & "FE2+ " & Format$(Format$(CATF(5), f84$), a80$))
Call IOWriteLog(a8x$ & "MG " & Format$(Format$(CATF(6), f84$), a80$))
Call IOWriteLog(a8x$ & "MN " & Format$(Format$(CATF(7), f84$), a80$))
Call IOWriteLog(a8x$ & "CA " & Format$(Format$(CATF(8), f84$), a80$))
Call IOWriteLog(a8x$ & "NA A " & Format$(Format$(ANAM4!, f84$), a80$) & a8x$ & "NA B " & Format$(Format$(ANA12!, f84$), a80$))
Call IOWriteLog(a8x$ & "K " & Format$(Format$(CATF(10), f84$), a80$))
Call IOWriteLog(a8x$ & "F " & Format$(Format$(CATF(11), f84$), a80$))
Call IOWriteLog(a8x$ & "CL " & Format$(Format$(CATF(12), f84$), a80$))
Call IOWriteLog(a8x$ & "OH " & Format$(Format$(2# - (CATF(11) + CATF(12)), f84$), a80$))
Call IOWriteLog(SSTRING1$)
Call IOWriteLog("MOLE FRACTIONS AND LOGARITHMS OF ATOMIC RATIOS:")
Call IOWriteLog(a6x$ & "X-FE2+= " & Format$(Format$(FE2X!, f83$), a80$) & a6x$ & "X-MG= " & Format$(Format$(MGMFT!, f83$), a80$))
Call IOWriteLog(a6x$ & "X-FE3+= " & Format$(Format$(FE3X!, f83$), a80$) & a6x$ & "X-ALVI= " & Format$(Format$(XALVI, f83$), a80$))
Call IOWriteLog(a6x$ & "X-MN= " & Format$(Format$(MNX!, f84$), a80$) & a6x$ & "X-TI= " & Format$(Format$(tix!, f84$), a80$))
Call IOWriteLog(a6x$ & "X-CA= " & Format$(Format$(CAX!, f83$), a80$) & a6x$ & "X-NAM4= " & Format$(Format$(ANAM4X!, f84$), a80$) & vbCrLf)
Call IOWriteLog(a6x$ & "MG / (MG + FE2+) = " & Format$(Format$(MGB!, f83$), a80$))
Call IOWriteLog(a6x$ & "FE2+/(FE2+ + FE3+)= " & Format$(Format$(FERAT!, f83$), a80$))
Call IOWriteLog(a6x$ & "MG/(MG+FE2+ + FE3+)=" & Format$(Format$(MGTOFE!, f83$), a80$) & vbCrLf)
Call IOWriteLog(a6x$ & "X-OH= " & Format$(Format$(HALMO!, f83$), a80$) & a4x$ & "X-F= " & Format$(Format$(HALMF!, f83$), a80$) & a4x & "X-CL= " & Format$(Format$(HALCL!, f83$), a80$))
Call IOWriteLog(a6x$ & "LOG(X-MG/X-FE2+)= " & Format$(Format$(RAMGFE!, f83$), a80$) & a4x$ & "LOG(X-F/X-CL)= " & Format$(Format$(HALOG!, f83$), a80$) & a4x$ & "LOG(X-F/X-OH)=" & Format$(Format$(XFOXOH!, f83$), a80$))
Call IOWriteLog(a6x$ & "LOG(X-MG/(X-FE2+ + FE3+))=" & Format$(Format$(MGFET!, f83$), a80$) & a4x$ & "LOG(X-FE2+/X-FE3+)=" & Format$(Format$(FELOG!, f83$), a80$) & vbCrLf)
Call IOWriteLog(a6x$ & "A-SITE= " & Format$(Format$(ASITE!, f83$), a80$) & a4x$ & "TOTAL VI= " & Format$(Format$(OCTA!, f83$), a80$))
Call IOWriteLog(a6x$ & "ALVI+2TI+A-SITE+FE3+= " & Format$(Format$(OC1!, f83$), a80$) & a4x$ & "ALVI+2TI+FE3+= " & Format$(Format$(OC2!, f83$), a80$))
Call IOWriteLog(vbNullString)
Call IOWriteLog(a6x$ & "Schmidt (1992) Pressure (All FE2+): " & Format$(Format$(PRESS2!, f42$), a80$) & " KBar, " & a4x$ & "(FE2+ -FE3+): " & Format$(Format$(PRESS23!, f42$), a80$) & " KBar")
' Output to file (AMPHI.OUT)
astring$ = vbCrLf & "Sample " & VbDquote$ & sample(1).number% & VbDquote$ & vbTab & VbDquote$ & sample(1).Name$ & VbDquote$
Print #tfilenumber%, astring$
astring$ = vbNullString
For j% = 1 To MAXAMPHI%
If j% = 3 Then
astring$ = astring$ + MiscAutoFormat$(WTPC!(j%)) & vbTab$ & MiscAutoFormat$(ANSFO!(j%)) & vbTab$ & MiscAutoFormat$(CATF!(j%)) & vbTab$ & MiscAutoFormat$(TETAL!) & vbTab$ & MiscAutoFormat$(OCTAL!) & vbTab & esym$(j%) & vbTab$ & MiscAutoFormat$(PRESS2!) & vbTab$ & MiscAutoFormat$(PRESS23!) & vbCrLf
ElseIf j = 9 Then
astring$ = astring$ + MiscAutoFormat$(WTPC!(j%)) & vbTab$ & MiscAutoFormat$(ANSFO!(j%)) & vbTab$ & MiscAutoFormat$(CATF!(j%)) & vbTab$ & MiscAutoFormat$(ANAM4!) & vbTab$ & MiscAutoFormat$(ANA12!) & vbTab & esym$(j%) & vbCrLf
ElseIf j = 12 Then
astring$ = astring$ + MiscAutoFormat$(WTPC!(j%)) & vbTab$ & MiscAutoFormat$(ANSFO!(j%)) & vbTab$ & MiscAutoFormat$(CATF!(j%)) & vbTab$ & MiscAutoFormat$(2# - (CATF!(11) + CATF!(12))) & vbTab & esym$(j%) & vbCrLf
Else
astring$ = astring$ + MiscAutoFormat$(WTPC!(j%)) & vbTab$ & MiscAutoFormat$(ANSFO!(j%)) & vbTab$ & MiscAutoFormat$(CATF!(j%)) & vbTab & esym$(j%) & vbCrLf
End If
Next j%
Print #tfilenumber%, astring$
astring$ = vbNullString
astring$ = astring$ & MiscAutoFormat$(HALOG!) & vbTab$ & MiscAutoFormat$(RAMGFE!) & vbTab$ & MiscAutoFormat$(MGB!) & vbTab$
astring$ = astring$ & MiscAutoFormat$(FE2X!) & vbTab$ & MiscAutoFormat$(tix!) & vbTab$ & MiscAutoFormat$(XALVI!) & vbTab$
astring$ = astring$ & MiscAutoFormat$(MNX!) & vbTab$ & MiscAutoFormat$(XFOXOH!) & vbTab$ & MiscAutoFormat$(OC1!) & vbTab$
astring$ = astring$ & MiscAutoFormat$(OC2!) & vbTab$ & MiscAutoFormat$(CATF(3)) & vbTab$ & MiscAutoFormat$(ASITE!) & vbTab$
astring$ = astring$ & MiscAutoFormat$(FERAT!) & vbTab$ & MiscAutoFormat$(CATF(1)) & vbCrLf
astring$ = astring$ & MiscAutoFormat$(ANAM4!) & vbTab$ & MiscAutoFormat$(ANA12!) & vbTab$ & MiscAutoFormat$(OCTA!) & vbTab$
astring$ = astring$ & MiscAutoFormat$(CATF!(8)) & vbTab & MiscAutoFormatI$(NCODE%)
Print #tfilenumber%, astring$
' Output to file (AMPHI.DAT)
astring$ = vbCrLf & "Sample " & vbTab & VbDquote$ & sample(1).number% & VbDquote$ & vbTab & VbDquote$ & sample(1).Name$ & VbDquote$
Print #tfilenumber2%, astring$
' Output oxide labels
astring$ = vbNullString
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = astring$ & "SiO2" & vbTab
If j% = 2 Then astring$ = astring$ & "TiO2" & vbTab
If j% = 3 Then
astring$ = astring$ & "Al2O3" & vbTab
astring$ = astring$ & "-----" & vbTab
End If
If j% = 4 Then astring$ = astring$ & "Fe2O3" & vbTab
If j% = 5 Then astring$ = astring$ & "FeO" & vbTab
If j% = 6 Then astring$ = astring$ & "MgO" & vbTab
If j% = 7 Then astring$ = astring$ & "MnO" & vbTab
If j% = 8 Then astring$ = astring$ & "CaO" & vbTab
If j% = 9 Then
astring$ = astring$ & "Na2O" & vbTab
astring$ = astring$ & "----" & vbTab
End If
If j% = 10 Then astring$ = astring$ & "K2O" & vbTab
If j% = 11 Then astring$ = astring$ & "F" & vbTab
If j% = 12 Then astring$ = astring$ & "Cl" & vbTab
Next j%
astring$ = astring$ & "OH" & vbTab
Print #tfilenumber2%, astring$
' Output oxide wt%
astring$ = vbNullString
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 2 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 3 Then
astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
astring$ = astring$ & Format$(0#) & vbTab
End If
If j% = 4 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 5 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 6 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 7 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 8 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 9 Then
astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
astring$ = astring$ & Format$(0#) & vbTab
End If
If j% = 10 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 11 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
If j% = 12 Then astring$ = astring$ & Format$(WTPC!(j%)) & vbTab
Next j%
astring$ = astring$ & Format$(2# - (CATF(11) + CATF(12))) & vbTab
Print #tfilenumber2%, astring$
' Output structural formula labels
astring$ = vbNullString
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = astring$ & VbDquote$ & "SI" & VbDquote$ & vbTab
If j% = 2 Then astring$ = astring$ & VbDquote$ & "TI" & VbDquote$ & vbTab
If j% = 3 Then
astring$ = astring$ & "AL IV" & vbTab
astring$ = astring$ & "AL VI" & vbTab
End If
If j% = 4 Then astring$ = astring$ & VbDquote$ & "FE 3+" & VbDquote$ & vbTab
If j% = 5 Then astring$ = astring$ & VbDquote$ & "FE 2+" & VbDquote$ & vbTab
If j% = 6 Then astring$ = astring$ & VbDquote$ & "MG" & VbDquote$ & vbTab
If j% = 7 Then astring$ = astring$ & VbDquote$ & "Mn" & VbDquote$ & vbTab
If j% = 8 Then astring$ = astring$ & VbDquote$ & "CA" & VbDquote$ & vbTab
If j% = 9 Then
astring$ = astring$ & VbDquote$ & "NA A" & VbDquote$ & vbTab
astring$ = astring$ & VbDquote$ & "NA B" & VbDquote$ & vbTab
End If
If j% = 10 Then astring$ = astring$ & VbDquote$ & "K" & VbDquote$ & vbTab
If j% = 11 Then astring$ = astring$ & VbDquote$ & "F" & VbDquote$ & vbTab
If j% = 12 Then astring$ = astring$ & VbDquote$ & "CL" & VbDquote$ & vbTab
Next j%
astring$ = astring$ & VbDquote$ & "OH" & VbDquote$ & vbTab
Print #tfilenumber2%, astring$
' Output structural formulas
astring$ = vbNullString
For j% = 1 To MAXAMPHI%
If j% = 1 Then astring$ = astring$ & Format$(CATF(1)) & vbTab
If j% = 2 Then astring$ = astring$ & Format$(CATF(2)) & vbTab
If j% = 3 Then
astring$ = astring$ & Format$(TETAL!) & vbTab
astring$ = astring$ & Format$(OCTAL!) & vbTab
End If
If j% = 4 Then astring$ = astring$ & Format$(CATF(4)) & vbTab
If j% = 5 Then astring$ = astring$ & Format$(CATF(5)) & vbTab
If j% = 6 Then astring$ = astring$ & Format$(CATF(6)) & vbTab
If j% = 7 Then astring$ = astring$ & Format$(CATF(7)) & vbTab
If j% = 8 Then astring$ = astring$ & Format$(CATF(8)) & vbTab
If j% = 9 Then
astring$ = astring$ & Format$(ANAM4!) & vbTab
astring$ = astring$ & Format$(ANA12!) & vbTab
End If
If j% = 10 Then astring$ = astring$ & Format$(CATF(10)) & vbTab
If j% = 11 Then astring$ = astring$ & Format$(CATF(11)) & vbTab
If j% = 12 Then astring$ = astring$ & Format$(CATF(12)) & vbTab
Next j%
astring$ = astring$ & Format$(2# - (CATF(11) + CATF(12))) & vbTab
Print #tfilenumber2%, astring$
Exit Sub
' Errors
ConvertAmphiboleError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphibole"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
Sub ConvertAmphiboleNorm(ANSFO() As Single, CAT1() As Single, CAT2() As Single, CAT3() As Single, CAT4() As Single, CAT5() As Single)
' Normalize amphibole structural formulas (written by Jay Ague, converted to VB by John Donovan)
' The specific normalizations performed are:
'
' NORM 1: TOTAL CATIONS - (Na+K) = 15
' NORM 2: TOTAL CATIONS - (Na+Ca+K) = 13
' NORM 3: TOTAL CATIONS - (K) = 15
' NORM 4: Si + Al = 8
' NORM 5: TOTAL CATIONS = 15.8 (Best value for arvfredsonite compositions in DHZ.)
'
' The calculations begin with a normalization of cation sums according
' to each of the above schemes. All Fe is here taken to be divalent.
' For each normalization, the total charge of all cations, exclusive
' of Fe, is summed. The excess charge is 46 - this sum. The distribution
' of Fe2+ and Fe3+ is then described by two equations in two unknowns:
'
' 2Fe2+ + 3Fe3+ = excess charge
' Fe2+ + Fe3+ = total Fe from normalization
ierror = False
On Error GoTo ConvertAmphiboleNormError
Dim j As Integer
Dim AFRAC As Single, FET As Single
Dim ATOM1 As Single, ATOM2 As Single, ATOM3 As Single, ATOM4 As Single, ATOM5 As Single
Dim TOTAL1 As Single, TOTAL2 As Single, TOTAL3 As Single, TOTAL4 As Single, TOTAL5 As Single
ATOM1! = 0#
ATOM2! = 0#
ATOM3! = 0#
ATOM4! = 0#
ATOM5! = 0#
TOTAL1! = 0#
TOTAL2! = 0#
TOTAL3! = 0#
TOTAL4! = 0#
TOTAL5! = 0#
' NORMALIZATION 1: TOTAL CATIONS - (NA+K)=15
For j% = 1 To MAXAMPHI% - 4
ATOM1 = ATOM1 + ANSFO!(j%)
Next j%
AFRAC = 15# / ATOM1
' SUM CATIONS AND INITIALIZE TOTAL FE
Call ConvertAmphiboleSum(CAT1!(), TOTAL1!, ANSFO!(), AFRAC!)
If ierror Then Exit Sub
' CALCULATE FE2+, FE3+, FOR NORM 1
FET! = CAT1!(5)
Call ConvertAmphiboleGetFe(TOTAL1!, FET!, CAT1(4), CAT1(5))
If ierror Then Exit Sub
' HALOGENS FOR NORM 1
CAT1(11) = ANSFO(11) * AFRAC
CAT1(12) = ANSFO(12) * AFRAC
' NORMALIZATION 2: TOTAL CATIONS - (NA+K+CA)=13
For j% = 1 To MAXAMPHI% - 5
ATOM2 = ATOM2 + ANSFO!(j%)
Next j%
AFRAC = 13# / ATOM2
' SUM CATIONS AND INITIALIZE TOTAL FE
Call ConvertAmphiboleSum(CAT2!(), TOTAL2!, ANSFO!(), AFRAC!)
If ierror Then Exit Sub
' CALCULATE FE2+, FE3+, FOR NORM 2
FET! = CAT2!(5)
Call ConvertAmphiboleGetFe(TOTAL2!, FET!, CAT2(4), CAT2(5))
If ierror Then Exit Sub
' HALOGENS FOR NORM 2
CAT2(11) = ANSFO(11) * AFRAC
CAT2(12) = ANSFO(12) * AFRAC
' NORMALIZATION 3: TOTAL-K = 15
For j% = 1 To MAXAMPHI% - 3
ATOM3 = ATOM3 + ANSFO!(j%)
Next j%
AFRAC = 15# / ATOM3
' SUM CATIONS AND INITIALIZE TOTAL FE
Call ConvertAmphiboleSum(CAT3!(), TOTAL3!, ANSFO!(), AFRAC!)
If ierror Then Exit Sub
' CALCULATE FE2+, FE3+, FOR NORM 3
FET! = CAT3!(5)
Call ConvertAmphiboleGetFe(TOTAL3!, FET!, CAT3(4), CAT3(5))
If ierror Then Exit Sub
' HALOGENS FOR NORM 3
CAT3(11) = ANSFO(11) * AFRAC
CAT3(12) = ANSFO(12) * AFRAC
' NORMALIZATION 4: SI+AL=8.0
ATOM4 = ANSFO(1) + ANSFO(3)
AFRAC = 8# / ATOM4
' SUM CATIONS AND INITIALIZE TOTAL FE
Call ConvertAmphiboleSum(CAT4!(), TOTAL4!, ANSFO!(), AFRAC!)
If ierror Then Exit Sub
' CALCULATE FE2+, FE3+, FOR NORM 4
FET! = CAT4!(5)
Call ConvertAmphiboleGetFe(TOTAL4!, FET!, CAT4(4), CAT4(5))
If ierror Then Exit Sub
' HALOGENS FOR NORM 4
CAT4(11) = ANSFO(11) * AFRAC
CAT4(12) = ANSFO(12) * AFRAC
' NORMALIZATION 5: TOTAL CATIONS = 15.8
For j% = 1 To MAXAMPHI% - 2
ATOM5 = ATOM5 + ANSFO!(j%)
Next j%
AFRAC = 15.8 / ATOM5
' SUM CATIONS AND INITIALIZE TOTAL FE
Call ConvertAmphiboleSum(CAT5!(), TOTAL5!, ANSFO!(), AFRAC!)
If ierror Then Exit Sub
' CALCULATE FE2+, FE3+, FOR NORM 5
FET! = CAT5!(5)
Call ConvertAmphiboleGetFe(TOTAL5!, FET!, CAT5(4), CAT5(5))
If ierror Then Exit Sub
' HALOGENS FOR NORM 5
CAT5(11) = ANSFO(11) * AFRAC
CAT5(12) = ANSFO(12) * AFRAC
Exit Sub
' Errors
ConvertAmphiboleNormError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphiboleNorm"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
Sub ConvertAmphiboleGetFe(total As Single, FET As Single, FE3 As Single, FE2 As Single)
' Calculate the amphibole Fe2+ and Fe3+ for a given normalization.
ierror = False
On Error GoTo ConvertAmphiboleGetFeError
Dim excess As Single
excess = 46# - total
FE3 = excess - 2# * FET
If FE3 < 0# Then
FE2 = -1#
Else
FE2 = FET - FE3
End If
' If CAT2(4) < 0# Then CAT2(5) = -1#
' If CAT2(4) > ANSFO(5) Then CAT2(5) = -1#
If FE3 < 0# Then FE2 = -1#
If FE3 > FET Then FE2 = -1#
Exit Sub
' Errors
ConvertAmphiboleGetFeError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphiboleGetFe"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
Sub ConvertAmphiboleSum(cat() As Single, total As Single, ANSFO() As Single, AFRAC As Single)
' Sum up the charges on cations, exclusive of Fe, for a given normalization
ierror = False
On Error GoTo ConvertAmphiboleSumError
Dim j As Integer
ReDim TOT(1 To MAXAMPHI% - 2) As Single
For j% = 1 To MAXAMPHI% - 2
cat!(j%) = AFRAC * ANSFO!(j%)
If j% <= 2 Then TOT!(j%) = cat!(j%) * 4#
If j% = 3 Then TOT!(j%) = cat!(j%) * 3#
If j% = 4 Or j% = 5 Then TOT!(j%) = 0#
If j% > 5 And j% <= 8 Then TOT!(j%) = cat!(j%) * 2#
If j% > 8 Then TOT!(j%) = cat!(j%)
total = total + TOT!(j%)
Next j%
Exit Sub
' Errors
ConvertAmphiboleSumError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphiboleSum"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
Sub ConvertAmphiboleAver(ANSFO() As Single, CAT1() As Single, CAT2() As Single, CAT3() As Single, CAT4() As Single, CAT5() As Single, CATF() As Single, INORM As Integer)
' Provide "best estimate" of amphibole structural formula. INORM selects the desired normalization or
' average of normalizations
' 1) Norm 1
' 2) Norm 2
' 3) Norm 3
' 4) Norm 4
' 5) All Fe2+
' 6) Norms 1, 2
' 7) All Fe2+ - Norm 1
' 8) All Fe2+ - Norm 2
' 9) Norms 3, 4
' 10) Norms 2, 3
' 11) Norms 2,3,4
' 12) Norm 5
' 13) Auto
ierror = False
On Error GoTo ConvertAmphiboleAverError
Dim i As Integer
' Default is all as Fe2+
If INORM% = 0 Then INORM = 5
' Load selected norm
For i% = 1 To MAXAMPHI%
If INORM = 1 Then CATF(i) = CAT1(i)
If INORM = 2 Then CATF(i) = CAT2(i)
If INORM = 3 Then CATF(i) = CAT3(i)
If INORM = 4 Then CATF(i) = CAT4(i)
If INORM = 5 Then CATF(i) = ANSFO(i)
If INORM = 6 Then CATF(i) = (CAT1(i) + CAT2(i)) / 2#
If INORM = 7 Then CATF(i) = (ANSFO(i) + CAT1(i)) / 2#
If INORM = 8 Then CATF(i) = (ANSFO(i) + CAT2(i)) / 2#
If INORM = 9 Then CATF(i) = (CAT3(i) + CAT4(i)) / 2#
If INORM = 10 Then CATF(i) = (CAT2(i) + CAT3(i)) / 2#
If INORM = 11 Then CATF(i) = (CAT2(i) + CAT3(i) + CAT4(i)) / 3#
If INORM = 12 Then CATF(i) = CAT5(i)
If INORM = 13 Then Call ConvertAmphiboleAutoAv(ANSFO!(), CAT1!(), CAT2!(), CAT3!(), CAT4!(), CATF!())
Next i%
Exit Sub
' Errors
ConvertAmphiboleAverError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphiboleAver"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
Sub ConvertAmphiboleAutoAv(ANSFO() As Single, CAT1() As Single, CAT2() As Single, CAT3() As Single, CAT4() As Single, CATF() As Single)
' Automatic Fe3+ averaging routine. Performs averaging of normalizations such that structural
' formulas with greatest lower bound and least upper bound on Fe3+ are averaged. Results are
' consistent with the Papike algorithm, as used, for example, by Czamanske et al. (1981).
ierror = False
On Error GoTo ConvertAmphiboleAutoAvError
Dim j As Integer
' Start averaging
If CAT4(5) < 0# Then GoTo 904:
If CAT2(5) < 0# Or CAT3(5) < 0# Then GoTo 905:
If CAT2(4) < CAT3(4) And CAT2(4) < CAT4(4) Then GoTo 906:
If CAT3(4) < CAT2(4) And CAT3(4) < CAT4(4) Then GoTo 907
If CAT4(4) < CAT2(4) And CAT4(4) < CAT3(4) Then GoTo 908
' Iterate
906: For j% = 1 To MAXAMPHI%
If CAT1(5) < 0# Then CATF(j) = (CAT2(j) + ANSFO(j)) / 2#
If CAT1(5) >= 0# Then CATF(j) = (CAT2(j) + CAT1(j)) / 2#
Next j%
GoTo Success
' Iterate
907 For j% = 1 To MAXAMPHI%
If CAT1(5) < 0# Then CATF(j) = (CAT3(j) + ANSFO(j)) / 2#
If CAT1(5) >= 0# Then CATF(j) = (CAT3(j) + CAT1(j)) / 2#
Next j%
GoTo Success
' Iterate
908: For j% = 1 To MAXAMPHI%
If CAT1(5) < 0# Then CATF(j) = (CAT4(j) + ANSFO(j)) / 2#
If CAT1(5) >= 0# Then CATF(j) = (CAT4(j) + CAT1(j)) / 2#
Next j%
GoTo Success
904: If CAT2(5) < 0# And CAT3(5) < 0# Then GoTo Failure
If CAT2(5) < 0# Then GoTo 907:
If CAT3(5) < 0# Then GoTo 906:
If CAT2(4) > CAT3(4) Then GoTo 907:
If CAT2(4) < CAT3(4) Then GoTo 906:
GoTo Failure
905: If CAT2(5) < 0# And CAT3(5) < 0# Then GoTo 908:
If CAT2(5) < 0# Then GoTo 913:
If CAT2(4) < CAT4(4) Then GoTo 906:
GoTo 908
913: If CAT3(4) < CAT4(4) Then GoTo 907:
GoTo 908
Failure:
Call IOWriteLog("ConvertAmphiboleAutoAv: NORMALIZATION PROCEDURE HAS FAILED")
' Load return array
For j% = 1 To MAXAMPHI%
CATF(j) = ANSFO(j)
Next j%
ANSFO(4) = 0.0001
Success:
Exit Sub
' Errors
ConvertAmphiboleAutoAvError:
MsgBox Error$, vbOKOnly + vbCritical, "ConvertAmphiboleAutoAv"
Close #tfilenumber%
Close #tfilenumber2%
ierror = True
Exit Sub
End Sub
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