chemometricmenus-package: Chemometric Menus
In polgia0/Chemometricmenus: Chemometric package
Description
Details
Author(s)
References
Description
Simplified chemometric method through graphical menus
Details
Package: chemometricmenus
Type: Package
Version: 1.0
Date: 2014-07-24
License: GPL-2
Use of the main tool bar
The main control of the package is given by the Menu Bar as shown in the figure.
Each menus call several functions with their one graphical interface.
Caution:
when a function is called the bar is minimized
to magnify the bar again just click above
to close the bar use the 'X' button at the top right corner
-
close the bar submenu to get the control back to the console
Input Variable Name
This input box appears before each function is called and requires the name
of the variable that is going to be processed. The name of the vector/matrix/dataframe
must be typed considering that R is case sensitive. If more than one dataset is loaded,
the default name selected is the last name that was input. So, as an example let the
matrix A be stored in the R memory and suppose that it must be processed.
The letter A should be typed in the Input Variable Name box. It is possible to process
its sub matrices using the R syntax. If A[,1] is written then the first column
is processed. Please find here below some examples of names accepted in the Input Variable Box.
For more expert users: if the data set is a dataframe, the notation typical of dataframe
fields, such as name_dataframe$name_field, is also allowed.
Users must pay attention to respect the correct dimensions of the data input. Some functions
apply only to vectors, other functions instead operate both on vectors and on matrices.
Sometimes it is possible to load into R matrices and apply to them functions that process vectors;
in this case the so-called parallel processing is carried out. E.g., if A[,1:3] is typed
in the input box calling the Univariate/Average/Arithmetic function, the row vector
3 , 7.333 , 1.333 is displayed, where the three elements are the Arithmetic Average of the
columns 1, 2, and 3 of A, respectively.
Outputs
The outputs of the required functions are displayed on the console. Moreover, results are
also stored in the memory under are given a new variable name. A printout such as
The value is saved in: var.mean appears on the console before displaying the results.
User can use results calling the new variable:
in a following Input Box;
typing the new variable name (e.g. var.mean) on the console to display the results.
If results are graphics, they can be printed, saved and copied on the clipboard using
the menu of the window where they are displayed.
Note on Missing Data
In a table (i.e. a matrix or a dataframe) missing values are indicated by the symbol
NA which stands for Not Available. Undetermined values such as 0/0
instead are represented by the symbol NaN which stands for Not a Number.
When missing values are present in a dataset, any function in R applied to the dataset
or on single vectors containing one or more NAs, will return NAs as a result, because
any arithmetical operation with NA values will return NA values. However, in this menu
only, all functions operate even though NAs are present. Missing values are ignored
and calculations are performed without considering them. Together with the missing
values, some other values may be removed automatically during computation.
In general, in a matrix or dataframe all the data are ignored in a row where one
or more NAs are present (row wise elimination) before running calculations by row
or by column as explained below. Only in the case when the matrix is indicated as
a whole, the single NA values are ignored. To make the user aware that the
calculation dealt with missing data this message appears on the console
>>NA found and ignored<<.
Author(s)
Riccardo Leardi and Gianmarco Polotti with contributions from Giorgio Marubini.Gruppo di Chemiometria (Divisione di Chimica Analitica della Societa' Chimica Italiana)
References
Varmuza K., Filzmoser P. (2009) Introduction to Multivariate Statistical Analysis in Chemometrics, CRC Press,\ ISBN: 978-1-4200-5947-2
Iacus, S. M., Masarotto G. (2007) Laboratorio di statistica con R, Ed.II, Italy: McGraw-Hill Companies,\ ISBN: 978-8-838-66369-7
Ildiko' F. F., Todeschini R. (1994) The Data Analysis Handbook, the Netherlands: Elsevier Amsterdam
polgia0/Chemometricmenus documentation built on May 28, 2019, 12:03 p.m.
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Description Details Author(s) References
Description
Simplified chemometric method through graphical menus
Details
| Package: | chemometricmenus |
| Type: | Package |
| Version: | 1.0 |
| Date: | 2014-07-24 |
| License: | GPL-2 |
Use of the main tool bar
The main control of the package is given by the Menu Bar as shown in the figure.
Each menus call several functions with their one graphical interface.
Caution:
when a function is called the bar is minimized
to magnify the bar again just click above
to close the bar use the 'X' button at the top right corner
-
close the bar submenu to get the control back to the console
Input Variable Name
This input box appears before each function is called and requires the name
of the variable that is going to be processed. The name of the vector/matrix/dataframe
must be typed considering that R is case sensitive. If more than one dataset is loaded,
the default name selected is the last name that was input. So, as an example let the
matrix A be stored in the R memory and suppose that it must be processed.
The letter A should be typed in the Input Variable Name box. It is possible to process
its sub matrices using the R syntax. If A[,1] is written then the first column
is processed. Please find here below some examples of names accepted in the Input Variable Box.
For more expert users: if the data set is a dataframe, the notation typical of dataframe
fields, such as name_dataframe$name_field, is also allowed.
Users must pay attention to respect the correct dimensions of the data input. Some functions
apply only to vectors, other functions instead operate both on vectors and on matrices.
Sometimes it is possible to load into R matrices and apply to them functions that process vectors;
in this case the so-called parallel processing is carried out. E.g., if A[,1:3] is typed
in the input box calling the Univariate/Average/Arithmetic function, the row vector
3 , 7.333 , 1.333 is displayed, where the three elements are the Arithmetic Average of the
columns 1, 2, and 3 of A, respectively.
Outputs
The outputs of the required functions are displayed on the console. Moreover, results are
also stored in the memory under are given a new variable name. A printout such as
The value is saved in: var.mean appears on the console before displaying the results.
User can use results calling the new variable:
in a following Input Box;
typing the new variable name (e.g. var.mean) on the console to display the results.
If results are graphics, they can be printed, saved and copied on the clipboard using
the menu of the window where they are displayed.
Note on Missing Data
In a table (i.e. a matrix or a dataframe) missing values are indicated by the symbol
NA which stands for Not Available. Undetermined values such as 0/0
instead are represented by the symbol NaN which stands for Not a Number.
When missing values are present in a dataset, any function in R applied to the dataset
or on single vectors containing one or more NAs, will return NAs as a result, because
any arithmetical operation with NA values will return NA values. However, in this menu
only, all functions operate even though NAs are present. Missing values are ignored
and calculations are performed without considering them. Together with the missing
values, some other values may be removed automatically during computation.
In general, in a matrix or dataframe all the data are ignored in a row where one
or more NAs are present (row wise elimination) before running calculations by row
or by column as explained below. Only in the case when the matrix is indicated as
a whole, the single NA values are ignored. To make the user aware that the
calculation dealt with missing data this message appears on the console
>>NA found and ignored<<.
Author(s)
Riccardo Leardi and Gianmarco Polotti with contributions from Giorgio Marubini.Gruppo di Chemiometria (Divisione di Chimica Analitica della Societa' Chimica Italiana)
References
Varmuza K., Filzmoser P. (2009) Introduction to Multivariate Statistical Analysis in Chemometrics, CRC Press,\ ISBN: 978-1-4200-5947-2
Iacus, S. M., Masarotto G. (2007) Laboratorio di statistica con R, Ed.II, Italy: McGraw-Hill Companies,\ ISBN: 978-8-838-66369-7
Ildiko' F. F., Todeschini R. (1994) The Data Analysis Handbook, the Netherlands: Elsevier Amsterdam
R Package Documentation
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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