|
PAPER: FC-Modeler: a Microsoft®
Excel© spreadsheet program for modeling Rayleigh fractionation
vectors in closed magmatic systems
Citation:
Keskin, M. (2002). FC-Modeler: a Microsoft®
Excel© spreadsheet program for modeling Rayleigh
fractionation vectors in closed magmatic systems,
Computers & Geosciences, V. 28/8, pp. 919-928
(OCT/2002).
Abstract: FC-Modeler is a user-friendly, interactive
Microsoft® Excel©
spreadsheet program that models Rayleigh fractionation vectors
and produces high quality graphic output in the form of log-log
bivariate diagrams.
It runs on
Microsoft® Excel© 97 or
later under Windows 95 or later.
The design of the program provides the user with an opportunity
to undertake petrologic modeling. Due to
its interactive nature,
this program updates the output simultaneously, when any
parameter is changed, allowing the user to simulate the
fractional crystallization (FC) process. FC-Modeler also permits
plotting geochemical data beside the FC vectors and hence it can
be used as a powerful tool to constrain the nature and amount of
the fractional crystallization in a closed magmatic system.
It produces a high quality graphic output, which can readily be
used for publication.
The most downloaded 18th article between May
2002-May 2003.
Introduction
A range of geological
processes control trace element distributions in magmatic
suites, including partial melting, fractional crystallization,
magma mixing, crustal contamination and assimilation combined
with fractional crystallization. Among these, crystal
fractionation is of special interest as it is considered to be
one of the most influential processes that exist in almost every
magmatic system, controlling a great proportion of the element
variations in magma chambers. Over the last few decades,
advances in magmatic petrology and geochemistry have exerted a
profound effect on our understanding of these magmatic
processes. Developments of mathematical methods together with
advances in computer hardware and software have provided
researchers with a powerful tool for modeling and even
simulating these processes.
A number of
studies in the literature have focused on computer programs
designed for the petrologic modeling of magmatic processes
(Conrad, 1987; Holm, 1988; Nielsen, 1988; Defant and Nielsen,
1990; Holm, 1990; Harnois, 1991; Benito and López-Ruiz, 1992;
Cebriá and López-Ruiz, 1992; D’Orazio, 1993; Verma et al., 1998;
Folch et al., 1999). Among them, only Holm (1988 and 1990),
Nielsen (1988), Harnois (1991), Cebriá and López-Ruiz (1992) and
Verma et al. (1998) have specifically dealt with the modeling of
the fractional crystallization (FC) process. Except for Holm’s
two (1988 and 1990) studies, suggesting the effective use of
spreadsheet software (i.e. Lotus 1-2-3), the rest presented
programs running under DOS.
As pointed out by Holm (1990),
there are several advantages of using spreadsheet software for
petrologic modeling, most important of which is the rapid
recalculation of equations and more flexibility in working the
models. Unlike most DOS programs, spreadsheets do not require
problematic data format conversions before and after data
processing. They are designed to be very stable, so unexpected
program terminations, which are quite common for DOS programs,
are very rare. Moreover, they do not require any knowledge of
computer programming; basic computer literacy is sufficient to
use these programs.
Since the publication of
Holm’s (1988 and 1990) papers, there have been great advances in
both spreadsheet software and PC hardware. Today’s spreadsheet
programs are equipped with numerous functions (e.g. statistical,
mathematic, database and logical), which are extremely flexible
and customizable. They run on much faster hardware and
considerably better operation systems. Moreover, they are
perfectly compatible and integrated with other programs such as
word processors, databases, presentation programs and even web
design software. Above all, they are widely available and easy
to learn and use, yet very powerful in storing, manipulating and
processing geochemical data. Hence, it is not surprising that
most petrologists prefer to use spreadsheet programs for storing
and evaluating their geochemical data. There are some examples
of spreadsheet programs in the literature, addressing the
specific issues in geology such as those written for modeling of
steady-state groundwater flow (Ousey, 1986), classifying
microprobe-derived amphibole analyses (Tindle, and Webb, 1994),
plotting mineral stability diagrams (Biddle et al., 1995),
converting relative bearings to XYZ coordinates (Grossenbacher
et al., 1996), performing thermodynamic calculations (Martín,
1996) and computing the dynamic properties of particles in
Newtonian fluids (Le Roux, 1997).
This paper
presents a new user-friendly interactive spreadsheet program
called FC-Modeler designed for the modeling of the Rayleigh
fractionation process. The program is a Microsoft®
Excel© Workbook containing dynamic links,
enquiries and functions that perform routine calculations for
modeling of up to eight Rayleigh fractionation vectors (Fig. 1,
2 and 3). It runs on Excel 97 or newer versions running under
Windows 95 or later. It permits the user data entry, storage,
calculation of the FC vectors and graphical output, which is
ready for printing or importing into another Windows program,
all in a single file. With its user-friendly interface, the
program simplifies the modeling of closed-system FC which is
otherwise a complex and time-consuming task prone to a series of
possible mistakes.
FC-Modeler is designed to facilitate error-free modeling.
Warning messages appear in particular sections of the program
whenever the user makes a mistake. When there is an error, the
program does not perform the whole or some parts of the
modeling. The users have full control of every parameter in the
program and can also store mineral/melt partition coefficient (Kd)
values and their own geochemical data. They interact with the
program using a graphical interface involving a table and a
bivariate scatter chart on which the results of every adjustment
on any parameter are simultaneously updated. Geochemical data
can also be plotted beside the FC vectors. This provides a good
opportunity for the user to simulate the FC process, observe the
theoretical trends (vectors), compare them with natural trends
that their data display, and test their working hypotheses. The
program file occupies around 1.9 Mb of disk space but this may
slightly vary depending on the data stored.
The FC-Modeler program is a
Microsoft® Excel© Workbook
containing dynamic links, enquiries and functions that perform
routine calculations for modeling of up to eight Rayleigh
fractionation vectors (Fig.
1). It runs on Excel 97 or newer versions running under
Windows 95 or later. It permits the user data entry, storage,
calculation and graphical output of the FC vectors, which is
ready for printing or importing into any other program, all in a
single file.
The program file occupies
around 1.9 MB of disk space but this may vary slightly depending
on the data stored. The user interacts with the program using a
graphical interface involving a table and a log-log bivariate
scatter chart on which the results of every adjustment on any
parameter are simultaneously updated. All the parameters
including magma composition, mineral percentages, Kd
values for various magma compositions are user modifiable.
Geochemical data can also be stored in the program and plotted
beside the FC vectors. This provides a good opportunity for the
users to simulate closed system FC process, observe the
theoretical trends (vectors), compare them with natural trends
that their data display, and test their working hypothesis. With
its user-friendly interface, the FC-Modeler program simplifies
the FC modeling which is otherwise a complex and time-consuming
task prone to a series of possible mistakes.
Special care was paid to the
design of the program so that the user can carry out an
error-free modeling. The program is controlled by several error
codes. When there is an error, the program stops the modeling
and gives an error message.
It should be noted that the
whole workbook and some parts of the sheets are write-protected
in order to maintain the integrity of the program. Also note
that the user can rename the program file and move it into any
folder, which does not interfere with anything in the program.
There are four modules in the
program (Table
1). Three of these (i.e. Kd Matrices,
Data series and User interface) are used for data input and
storage.
-
Kd
matrices:
Mineral/melt Kd values for basic,
intermediate and acid magmas are stored in three separate
spreadsheets. Kds of a total of 45
elements for 16 minerals can be stored in each matrix.
-
Data series:
A total of six spreadsheets are reserved for storing the
user’s geochemical data. Each sheet corresponds to a data
series that can be displayed on the modeling graph with a
different symbol. They are named accordingly as Data S 1 to
6. A total of 200 samples each containing up to 45 elements
can be stored on each sheet.
-
User interface for
modeling:
This module is used for inputting a number of parameters
such as magma composition, mineral percentages, elements,
starting compositions and some parameters related to
vectors. This is placed on a separate sheet named
“Modeling”.
-
Results:
This module is designed for presenting the results in a
table and graphical format. It consists of three sheets: (a)
Numeric output, (b) Summary, and (c) Graph.
-
Numeric Output:
This sheet contains a table whose columns correspond to
the fraction of magma remaining (F) and rows to
the elements (or ratios or multiplications of elements)
chosen by the user for the modeling of each vector.
-
Summary:
This sheet contains all the details of the FC modeling
on a single page. It summarizes everything about the
modeling: the parameters used, name of the data series
plotted, bulk partition coefficients (Ds)
calculated together with the modeling graph generated.
Graph:
This sheet includes an Excel chart containing results of the FC
modeling. On this graph, modeled FC vectors and data points
representing the data series are presented together with a
legend. This graph is not write-protected. Hence, the users can
copy the graph and paste it onto a document or another
spreadsheet. If needed, the users can change the format of the
graph after pasting it onto another spreadsheet.
|
Modules |
Names of the
modules |
Sheets |
Names of the
sheets |
Functions |
|
Input |
1 |
User interface |
1 |
Modeling |
This sheet
is the work area of the program where the users interact
with the program for modeling. On this sheet, the users
can set magma compositions and phase combinations for
each vector, select elements they intend to use, enter
concentration of these elements, select the data series
they want to plot and set the increments of
crystallization on the vectors. The bulk partition
coefficients (Ds) are calculated by the program.
|
|
2 |
Kd
matrices |
2 |
Kds basic |
These three
sheets are for storing partition coefficients (Kds)
of 45 elements for three different magma compositions:
(1) Basic,
(2) intermediate, and (3) acid. The Kd
values are user-definable. |
|
3 |
Kds inter. |
|
4 |
Kds acid |
|
3 |
Data Series |
5 |
Data S 1 |
These six
sheets are reserved for the users to enter their own
geochemical data. A total of 6 data series can be
entered and displayed on a graph with various symbols.
Each page can hold up to 200 analyses for a total of 45
elements. |
|
6 |
Data S 2 |
|
7 |
Data S 3 |
|
8 |
Data S 4 |
|
9 |
Data S 5 |
|
10 |
Data S 6 |
|
Output |
4 |
Results |
11 |
Numeric output |
This sheet
contains a table displaying variations of trace element
abundances with F (the fraction of magma remaining) for
each vector. |
|
12 |
Summary |
This sheet
summarizes everything about the modeling on a single
page: all the parameters, calculated D values,
the graph displaying FC vectors and data series. |
|
13 |
Graph |
An Excel
chart that is identical to the graph on “Modeling” sheet
is given here. Having completed their modeling, users
can copy this card and paste directly onto their
document or another spreadsheet. |
|
|
|
|
14 |
Correspondence |
Faculty and
e-mail addresses of the author are given on this page
for correspondence and future reference. |
Table:
1.
Schematic presentation of the program.

Figure:
1. Screen
shot of the first page of the FC-Modeler program named
“Modeling”. Only two fields of a total of six (see
Table 2) are visible in this figure: “Table
of FC vectors” is located above and “Table
of calculated Ds” below.
You can enter three different
types of data into the program: (1) Kd values
for three different magma compositions (Fig.
2), (2) geochemical data that you can plot beside modeled FC
vectors (Fig.
3), and (3) a number of petrologic parameters (e.g. magma
compositions, proportions of minerals, elements etc.) that you
can manipulate for your modeling (Fig.
1,
5 and
7). There is not a certain order for data entry. The program
has such a dynamic structure that you can modify any value at
any time. When you do this, everything in relation to this
modification is simultaneously updated. However, I recommend
that you start entering Kd values and
geochemical data before starting the modeling.
3.1.1. Entering Kd
values
You will find values
already entered on
mineral/melt Kd matrices for most of the
elements. These are the most common values but they may not meet
your special needs. Therefore, before commencing to FC-modeling,
you should construct your own Kd database by
checking Kd values for basic, intermediate and
acid magmas in three sheets (Fig. 2) and modify them if
necessary.

Figure:
2. Screen
shot of the sheet named “Kds for Basic magmas”. Minerals are
placed in the columns and elements along rows. Note that the
empty cells are marked by greenish background.
On these three sheets, the
Kd matrices are organized in a simple way:
minerals are placed along columns and elements are placed in
rows. The elements are sorted in an ascending alphabetical
order. The bulk partition coefficients (i.e.
table of calculated Ds on the Modeling sheet) and
hence the vectors modeled are simultaneously updated in the
program when you change any Kd value for any
mineral that you have selected for your modeling. Note that the
empty cells in Kd matrices remain colored in
order to catch your attention. The program does not consider
these empty cells as zero values in the calculation of D
values and hence does not plot such vectors, giving warning
messages (see 3.2.4. Warning messages).
Having finished with the Kd
database, you can enter your data series into the sheets named
Data S 1 to 6 (Fig. 3). Each sheet corresponds to a data series
that will be displayed on the modeling graph with a different
symbol. The user has full control over which data series will be
plotted on the modeling graph. Note that there are only 6 data
series available in the program so the number of data series
cannot exceed 6. Also note that only 200 samples can be entered
in a single sheet. If your source data is in a spreadsheet
format, you can copy them from the original file and paste them
onto these sheets. But you should be careful about the order of
elements.

Figure:
3. Screen
view of the “Data Series 1” sheet.
On these sheets, elements are
placed in columns and arranged in ascending alphabetical order.
Element names are write-protected so you cannot modify any of
them. Any changes in the element’s order are not allowed either.
You can enter the name of each series into the cell located at
the top left of the each sheet (i.e. C1 in Fig. 3). Please avoid
long names and abbreviate them if needed. When entered, names of
the Data Series will be displayed on the “Modeling” and
“Summary” sheets.
On the first three data
sheets, you will find some trace element data for Ba, Rb and Y
elements. These data are provided to give you a chance to
practice the program before entering your own data. Please do
not forget to delete these data before beginning your modeling.
Important note!
Please do not use Clear – All command in order to delete
the data on these sheets, since this command write-protects the
cells for some reason. It is recommended that you first select
the cells you want to clear and then press the delete key on the
keyboard.
Having completed the data
entry, now you are ready for the FC vector modeling.
3.2. Modeling
After inputting the data, you can start
constructing the FC modeling. The sheet named “Modeling”
contains all the parameters and options that you can manipulate
for the modeling of Rayleigh fractionation vectors. It is
divided into five sections as shown in
Table 2.
On this sheet, you can control
the program by using two of these fields: (1) Table of FC
vectors (Fig.
5), and (2) Graphical interface (Modeling & Graph in
Fig. 7) including fields for elements and their starting
compositions (a1 and a2 in Fig. 7) and the section for selecting
the data series that will be displayed alongside the modeled
vectors (the field “c” in
Fig. 7). The other three fields are not user-modifiable;
they either give information about the modeling or warn you
about possible mistakes (Table 2). When you change any of these
parameters, the program will instantly update the results of
your modeling.
|
|
|
Fields |
Function |
|
User modifiable |
1 |
|
Used for the
setting of magma composition and mineral percentages (Fig.
1 and
5). |
|
2 |
Graphical interface (Modeling & Graph) |
Used for
selecting elements, their starting compositions and
parameters related to vectors (i.e. the point at which
crystallization ends and tick mark intervals)
(a1 and a2 in
Fig. 7). |
|
The data series displayed |
Used for
choosing which data series will be plotted alongside the
modeled vectors (c in
Fig. 7). |
|
Not modifiable by the user |
3 |
Table of calculated Ds |
Displays the
calculated Ds by considering magma composition,
mineral percentages and Kd
values (Fig.1
and
6). |
|
4 |
Warning messages |
It warns you if
there is an error during the modeling (e.g. if one or
more Kd values are missing, if any
mineral you have selected cannot be crystallized from a
particular magma composition, etc.) (Fig.
11). |
|
5 |
Kd
monitor |
It displays Kds
of which elements are absent in Kd
matrices (Fig.
14). |
Table:
2.
The sections on the “Modeling” page and their functions.
3.2.1. Table of FC
vectors
This is the table in which you can select the
magma compositions and enter volume percentages of minerals for
each of eight vectors (Fig.
5). The columns correspond to the vectors whereas the rows
stand for the minerals in this table. The third row from the top
contains the cells used for adjusting the magma composition for
each vector. The letters on the left of each cell stand for
magma compositions: B for basic, I for intermediate, and A for
acid. You can adjust the magma composition by clicking on the
“spinner” on the right of each cell (Fig. 4). Clicking on arrows
on each spinner brings one of four available choices in order:
n/a, B, I and A. If you do not want to plot a particular vector,
click on the downward-pointing arrow key until you get an “n/a”
(i.e. non applicable) message (Fig. 4-b).

(a) (b)
Figure: 4.
a) Select a magma composition by clicking on appropriate arrows
on the “Spinner”.
b) If you do not want to plot a particular vector,
click on the downward pointing arrow key until you get an n/a
message.
The second row of the Table of FC vectors
contains cells displaying the colors and symbols donated for
each vector on the modeling diagram (Fig. 5). This legend is
designed to help you easily see which column on the table
corresponds to which vector on the diagram.

Figure:
5. Screen
view of the “Table of FC vectors” on the sheet named “Modeling”.
Note that there are two
columns for each vector on this table. The cells in the left
column of each vector are used for entering the percentages of
minerals, while the ones on the right, named “status”, are
designed to display warning messages related to the
corresponding minerals.
There are 16 minerals
available for the modeling. The first 10 minerals, highlighted
with white background color, are the ones that are crystallized
from magmas of any composition in nature. However, the ones
indicated by a grey background color cannot be crystallized from
either one or two magma compositions.
The use of the “Table of FC
vectors” is quite simple. In order to get a vector calculated
and then plotted onto the modeling diagram, you should set magma
composition by using the appropriate spinner and enter mineral
percentages (over 100%) for that particular vector. When you
enter a percentage value into a cell, its background color turns
into bright yellow. This is intended to draw your attention to
the minerals you have chosen for modeling. The sum of the
mineral percentages is displayed at the bottom of each vector
and should be equal to 100% (Fig.
5). I suggest you carefully check the cells in the status
column of each vector to see if there are any warning messages
about any mineral.
q If
a mineral is unlikely to crystallize from the magma composition,
“Not crys” message becomes visible in the status bar
beside the mineral (Fig.
5).
q If
Kd values of one or more elements are absent
in the Kd matrices (the ones corresponding to
the magma composition you selected for that particular vector)
for a mineral, “Miss Kd!” message appears in the status
bar alongside that particular mineral (Vectors 3 and 5 in
Fig. 12).
To find out which element’s
Kd value is absent, you can check the “Missing
Kd!” message in the “table of calculated Ds”.
For example, there is a “Miss Kd!” message for biotite in vector
5 in
Fig. 12. If you carefully examine the “table of calculated
Ds”, you can easily find out that the missing value in
fact belongs to Y element.
While using the Table of FC
vectors, you should regularly check the error and warning
messages appearing in various parts of the modeling sheet.
If you do not want to plot a particular vector, you can either
set composition to n/a by using corresponding spinner (Fig.
4-b) or delete all % values in the mineral % column of that
particular vector. When you do this, the program gives the
message “n/a” in the “table of calculated Ds” for that
vector (Fig.
12, Vector 4). The same message will appear, if all cells
are left empty in the mineral % column for a vector.
This table displays bulk
partition coefficient values calculated by the program for the
elements selected for each vector (Fig. 6). If there are any
mistakes in the Table of FC vectors, the program does not
calculate the D value for that particular vector; instead
it displays a warning message in the corresponding cell on the
table (see error messages).

Figure: 6.
Screen shot of the table of calculated Ds. See
Table 3 for color codes for D values.
In this
table, background color of the cells changes depending on the
D value (Table 3).
|
Calculated D value |
Background color |
|
< 0.5 |
White |
|
0.5 – 0.99 |
Yellow |
|
1 – 3 |
Orange |
|
> 3 |
Red |
Magma compositions are also
color-coded: pink background for acid, pale blue for
intermediate and light green for basic magmas (Fig. 6).
3.2.3. Graphical
interface (Modeling & Graph)
A scatter diagram in the middle of the “Modeling”
sheet performs the function of the monitor of the modeling since
it instantaneously responds to any adjustment on any parameter (Fig.
7). The modeled FC mineral vectors and the selected data
series are plotted on this diagram together with a legend. It
also serves as the control center of the program since it is
surrounded by the fields for manipulating all the variables
related to the modeling. There are three different types of
fields as follows:
a) Elements
and concentrations field:
There are two fields located at the bottom left of the graph
corresponding to X- and Y-axis respectively (the areas marked by
“a1 and a2” in Fig. 7). Elements and their concentrations
are adjusted by using these two fields. You can select elements
and adjust their starting concentrations by using combo boxes
and browsers located next to the X- and Y-axis of the graph
(Fig. 7 and 8). You can also set ratio or multiplication of two
elements for any or both of X- and Y-axis. The use of combo
boxes and browsers is exactly the same as the ones used in all
Windows programs (Fig.
8). Note that if you want to deselect an element, you should
pick “none” from the pull-down menu (Fig.
8-b).

Figure:
7. Screen
shot of the section named “graphical interface” (Modeling &
Graph) on the sheet named “Modeling”. There are three fields
that are used for adjusting parameters of the modeling: (a)
elements and concentrations field, (b) the vectors field, and
(c) the data series field.

(a) (b)

(c) (d)

(e)
Figure: 8.
Screen shot of the fields that are used for selection of
elements and their starting compositions. (a) General view, (b)
Selection of an element by using the pull-down menu (combo box),
(c) Adjustment of element concentration (in ppm) using the
browser, (d) setting up of a ratio of two elements (here the
ratio of Rb/Nb) for the Y axis, (e) The interface for setting up
elements and their concentration on the X axis.
b) Vectors field:
This field is
located
on the upper-right of the graph (the
Fig. 9). It allows you to adjust two parameters related to
Rayleigh fractionation vectors being modeled: (i) the point at
which crystallization ends and (ii) intervals of the tick marks
corresponding to intervals of crystallization. A total of
thirteen predefined pairs of parameters are placed in a combo
box located to the right of the graph. Available options are
listed in Fig. 9-b. So, you can select one of these 13 choices
from this combo box for your vector modeling.
 
(a)
(b)
Figure:
9. Figure
displaying
content of the combo box for setting up two parameters related
to modeled vectors.
c)
Data
series field:
This
field
contains the interface which is used for selecting the data
series that will be plotted aside the modeled vectors on the
graph (the area marked with “c” in
Fig. 7). It contains a series of cells displaying the name
of the data series, the symbols representing them and the number
of data points plotted in each series. On the left of these
cells, there is a series of combo boxes with pull-down menus.
There are two choices on each pull-down menu: (1) “display” and
(2) “don’t display” (Fig.
10). To have a particular data series displayed on the
graph, you should select the “display” option from the combo box
corresponding to that data series (e.g. Series 1 in
Fig. 10). If you select the “don’t display” option for a
particular data series, the data points for this series
disappear from the graph. In that case, the background color of
surrounding cells turns into purple (e.g.
Fig. 10, Series: 5 and 6). Note that the symbols for each
data series are shown next to each cell.

Figure: 10. (on the left)
Screen shot of the section “The data series displayed”. In order
to get a data series displayed on the graph, you should select
“Display” from the pull-down menu on the left.
Figure: 11. (on the right)
General view of the Warning messages section.
As you will discover, the
program simultaneously responds to any adjustment you may make
on any parameter. You can try numerous trial and error models in
a very short time and produce several graphs. However, you
should be also aware of possible errors in your modeling. The
program is designed in such a way that it does not permit any
errors in the modeling. When there is an error, the program does
not plot such data on the modeling diagram and warns you with
some messages appearing in several parts of the “Modeling”
sheet.
3.2.4. Warning messages
The area located to the right
of the graph is reserved for warning messages (Fig.
11). Only when there is an error or missing data in the
program, do some messages in this area appear. Tables of “FC
vectors” and “calculated Ds” also display error messages,
when there is an error. These messages are listed below:
Not crys !
message: If
a mineral is not crystallized from a particular magma
composition, a message “Not crys” appears in the cell alongside
the mineral in the status column and the color of this cell
turns into red (Fig. 12). If you enter a percentage value for
such a mineral, a warning message “Not crys !” appears on the
“table of calculated Ds” (Fig. 12, Vector 1) and the
vector under consideration is not plotted onto the modeling
diagram. Such vectors are also marked as V1, V2,…V8 on the table
of “Warning messages” (Fig.
11) placed to the right of the graph on the modeling sheet
so that you can easily find out the mistakes and correct them.

Figure: 12.
Error messages appearing on tables of vectors and calculated
Ds.
Not crys!:
some minerals cannot be crystallized from the magma composition
selected (e.g. Vector 1); Error in %: the sum of mineral
percentages is not equal to 100% (e.g. Vector 2); Missing
Kd! or Miss Kd!:
some Kd values are not entered in Kd
Matrices (e.g. Vector 3); n/a: either the composition
magma or mineral percentages are not entered (e.g. Vector 5).
If you either set the
composition of magma to n/a (Fig.
4-b) or do not enter any minerals percentage values for a
vector, the program does not calculate the D values for
this particular vector (e.g.
Fig. 12, Vector: 4). A message reading “n/a” is displayed in
the corresponding cells on the “table of calculated Ds”.
Such vectors are not displayed on the modeling graph either.
Error in %
message: You
can see the sums of mineral percentages below each vector (Fig.
12). If the total mineral percentages differ from 100% for a
vector, the program neither calculates D values for the
elements nor plots the vector on the diagram; instead it gives a
message as “Error in %” in the table of calculated Ds (Fig.
12, Vector: 2). An error message also appears on the “table
of warning messages” pointing to the vectors whose sum of
mineral percentages is different from 100% (Fig.
11). This message is displayed until you correct them to
equal to 100%.
Miss Kd!
message: If
one or more mineral/melt Kd values are not
entered in the Kd database for a particular
element, and if you attempt to use such elements and minerals
for your FC modeling, a warning message reading “Miss Kd!”
appears in the status column next to the mineral percentage you
have just entered (Fig.
12, Vectors: 3 and 5). To find out which elements’ Kd
values are absent, you can check the “table of calculated Ds”
for the message “Missing Kd” (Fig.
12, Vectors: 3 and 5). For example, if vector 5 in Fig. 12
is considered, Kd value of Y for biotite
should be absent in the Kd matrix for acid
magmas. Such warnings related to missing Kds
are also displayed on the “table of warning messages” under the
heading “Missing Kd(s) at vector(s)” (Fig.
11). If a vector contains one or more missing mineral/melt
Kd values, the program does not calculate it
and hence does not plot it onto the modeling graph. You can also
check the “Kd Monitor table” (Fig.
14) at the bottom of the Modeling page to find out which
mineral/melt Kd values are absent for the
elements and for the magma compositions you have selected. Once
the missing Kd values are entered, the program
starts calculation and the vectors are immediately plotted onto
the modeling diagram.
n/a
message:
This message is displayed only in the “table of calculated Ds”.
It comes into view when either the magma composition of a vector
is set to n/a (see
Fig. 4-b) or all the cells in mineral % column of that
particular vector are left empty (Fig.
12, Vector 4). The program does not plot such vectors on the
graph either.
The same elements
selected!
message:
This message appears in a cell below the Data Series field (Fig.
13-b), when two elements you entered for a particular axis are
the same (Fig. 13-a).
One of the signs is not
entered!
message: This message appears when you select two
elements but do not define their relationship by selecting “/”
or “x” signs from the combo box provided (Fig. 13-b).
Zero concentration!
message: This message
comes into view below the element and concentration field of
X-axis, when the concentrations of one or more elements are set
at zero (Fig. 13-a and c).
(a)
(b)

(c)
Figure: 13.
Error messages appearing (b) below the Data series field and (b)
below the element and concentration field.
This is the table designed to
help you see immediately which minerals’ Kd
values have not been entered in three Kd
matrices for the elements selected for modeling. It contains
three tables for basic, intermediate and acid magmas (Fig.
14). When you change any of the elements in the modeling,
the cells in the table will be simultaneously updated.

Figure: 14.
Kd monitor section located at the bottom of
the “Modeling” sheet. The table displays which minerals’ Kd
values have not been entered in three Kd
matrices for the elements selected for modeling.
3.3. Output
The
output section is divided into three sheets: (1) Numeric output,
(2) Summary, and (3) Graph.
3.3.1. Numeric output
This sheet contains a table whose columns correspond to the
fraction of magma remaining and rows to the elements or ratios
of elements chosen by the user for the modeling of each vector (Fig.
15). It basically displays the change in concentration of
each element (or ratios or multiplications of elements) on each
vector with increasing FC, in other words, with decreasing F
.

Figure: 15.
Screen shot of the page named “Numeric output”. The table
displays the change in element concentrations as a function of
fraction of magma remaining as the crystallization proceeds.
3.3.2. Summary
This sheet contains all the
details of the FC modeling. It displays the parameters used,
name of the data series plotted, together with the calculated
D values and modeling graph (Fig.
16). This page is designed for you to see and print all the
details about your modeling on a single page.



Figure: 16.
General view of the sheet named “Summary”.
3.3.3. Graph
This sheet includes an Excel
chart containing modeled FC vectors and points of data series
together with a legend (Fig. 17). This sheet is not
write-protected to enable you to copy the graph and paste it
onto another sheet or a document. This provides you with a high
quality output, which is ready for printing or importing into
another program. If you wish, you can add some text and
drawings, and change symbols and colors of data series on this
chart after pasting it onto another spreadsheet.

Figure:
17.
A view of the sheet named “Graph”.
References
Benito R., López-Ruiz, J.,
1992. ANATEX.BAS: a program for calculating the mineralogy of
the residual solid and trace element fractionation in partial
melting. Computers & Geosciences 18 (5), 603-615.
Biddle, D.L., Percival, H.J.,
Chittleborough, D.J., 1995. An interactive spreadsheet for
graphing mineral stability diagrams. Computers & Geosciences 21
(1), 175-185.
Cebriá, J.M., López-Ruiz, J.,
1992. TRAZAS: a program for trace-element modeling of igneous
processes. Computers & Geosciences 18 (6), 689-696.
Condie, K.C., 1993. Chemical
composition and evolution of the upper continental crust:
contrasting results from surface samples and shales. Chemical
Geology 104, 1-37.
|