Title                  :NEDQNT 
Keywords               :XEDS
Computer               :DEC VAX 11/730-785, DEC PDP 11/2-11/73
Operating System       :VAXVMS, RT-11
Programming Language   :Fortran IV
Hardware Requirements  :None
Author(s)              :Nestor J. Zaluzec
Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212
                       :Materials Science Division, Argonne, Illinois 60439,
Documentation:
-----------------------------------------------------------------------------
All formulae used in this program can be found in:

"A Beginners Guide to X-ray Analysis in an Analytical Electron
Microscope: Parts 1,2,3" EMSA Bulletin Vol 14 #1 page 67 1984,
Vol 14 #2 page 61 1984, Vol 15 #1 page 65 1985, Vol 15 #2  page 72 1985
additional references are included in these articles.
PLEASE CHECK ALL ISSUES INDICATED AS ERRATA PAGES WERE ISSUED
TO CORRECT TYPESETTING ERRORS IN EQUATIONS WHICH OCCURED DURING PRINTING.
----------------------------------------------------------------------------

The following procedure is used to compile and link NEDQNT for use on a VAX

$FORTRAN ATMLVLTBL    <----------- This creates the file ATMLVLTBL.OBJ
$LINK ATMLVLTBL       <----------- This creates the file ATMLVLTBL.SAV
$RUN ATMLVLTBL        <----------- This creates the file ATMLVL.TBL

$FORTRAN XENRGYTBL    <----------- This creates the file XENRGYTBL.OBJ
$LINK XENRGYTBL       <----------- This creates the file XENRGYTBL.SAV
$RUN XENRGYTBL        <----------- This creates the file XENRGY.TBL


$FORTRAN/EXTEND NEDQNT<----------- This creates the file NEDQNT.OBJ
$LINK NEDQNT,SYSLIB   <----------- This creates the file NEDQNT.SAV
$RUN NEDQNT           <----------- This creates the file NEDQNT.OUTPUT
				   and provides screen output
-------------------------------------------------------------------------
The following procedure is used to compile and link NEDQNT on a RT-11
system:  WARNING YOU WILL HAVE TO TRUNCATE ALL FILE NAME TO 6 CHARACTERS
MAXIMUM TO RUN ON A RT-11 SYSTEM REMEMBER TO RENAME THE FILES AS APPROPRIATE

.FORTRAN ATMLVL    <----------- This creates the file ATMLVL.OBJ
.LINK ATMLVL       <----------- This creates the file ATMLVL.SAV
.RUN ATMLVL        <----------- This creates the file ATMLVL.TBL

.FORTRAN XENRGY    <----------- This creates the file XENRGY.OBJ
.LINK XENRGY       <----------- This creates the file XENRGY.SAV
.RUN XENRGY        <----------- This creates the file XENRGY.TBL


.FORTRAN/EXTEND NEDQNT<----------- This creates the file NEDQNT.OBJ
.LINK NEDQNT,SYSLIB   <----------- This creates the file NEDQNT.SAV
.RUN NEDQNT           <----------- This creates the file NEDQNT.OUTPUT
                                   and provides screen output
------------------------------------------------------------------------

Commentary


All numerical data input required by NEDQNT should be entered as
floating point numbers, all SYMBOLIC input requested by NEDQNT
should be entered as 2 ASCII characters.  For example when specifying
an element symbol for Nickel one types "NI".  For elements with
only one character symbol such as Oxygen you must always enter two
characters thus Oxygen must be either preceeded or followed by a space
thus the format is "O " or " O".  X-ray line identification follows
the same format i.e. "KA","KB","K "(or" K"),"LA","LB","L " (or" L")
for Kalpha, Kbeta, Ktotal, Lalpha, Lbeta, Ltotal.  The notation
Ktotal implies you are entering an intensity given by the sum of KA+KB
while Ltotal= the entire L shell emission series (LA+LB+LG+LN+LL+...)

When NEDQNT request multiple input on a given line each input value
must be seperated by a comma.  Thus,for example, when NEDQNT requests 

"ENTER Symbol,Line,Intensity for element number 1" 
if your response is  Nickel, Kalpa, 1000 counts you would type the following

NI,KA,1000.<return>

The following is an example of a complete analysis performed using
NEDQNT illustrating both the questions and responses. The data output
should be used to verify that your version is running correctly.
Default responses to questions are indicated by square brackets , 
this means that if you hit <return> instead of typing a response to a question
the program will assume the answer shown in the [ ].

c--------------------------------------------------------------------





                 ******************************
                 *          NEDQNT            *
                 * EDS DATA ANALYSIS PROGRAM  *
                 *       8706100020-NJZ       *
                 ******************************


Data Analysis on: 11-JUN-87 at 12:15:25



Si(Li) Detector/Microscope Parameters
________________________________________
Parylene  thickness(cm)  =     0.0000E+00
Aluminium thickness(cm)  =     0.0000E+00
Beryllium thickness(cm)  =     1.0000E-03
Gold      thickness(cm)  =     3.0000E-06
Silicon Dead  layer(cm)  =     3.0000E-05
Silicon Act.  layer(cm)  =     3.0000E-01
X-ray Incid. Angle(deg)  =     0.0000
Detector Azimuth  (deg)  =    90.0000
Detector Elevation(deg)  =    20.0000
Detector Solid Angle(Sr) =     0.1300
FWHM of Mn K-alpha (eV)  =   171.0000
Constant for Mn K-alpha  =     4.3000
Incomplete Charge Const A=     0.0000
Incomplete Charge Const B=     0.0000

Enter Analysis/Specimen Identification :
DEMONSTRATION OF NEDQNT FOR EMMPDL, INTENSITY TO COMPOSITION

------------------------------
  SELECT Type of Calculation
------------------------------
 COMPOSITION from Intensity=C
 INTENSITY from Composition=I
 Enter your Choice [C]     =C

Accelerating Voltage (kV)? :  120

Number of Elements to be Analyzed ? :  4

Enter Element,Line,Intensity of Peak Number  1  [A2,A2,REAL]
AL,KA,100.

Enter Element,Line,Intensity of Peak Number  2  [A2,A2,REAL]
NI,KA,200.

Enter Element,Line,Intensity of Peak Number  3  [A2,A2,REAL]
CR,KA,200.

Enter Element,Line,Intensity of Peak Number  4  [A2,A2,REAL]
Y ,KA,100.
          Int       Wt%    At%    Wt%-Ratio  At%-Ratio
-------------------------------------------------------

AL KA   1.000E+02   9.78  20.82    1.0000    1.0000
NI KA   2.000E+02  28.28  27.68    2.8925    1.3293
CR KA   2.000E+02  24.96  27.59    2.5535    1.3251
 Y KA   1.000E+02  36.99  23.91    3.7834    1.1482

          Analysis by Thin Film Approximation
-------------------------------------------------------


Absorption Correction? [Y] Y

Enter Specimen Thickness (nm) along Beam Direction : 100.

Enter  Specimen  Tilt:  X-Axis, Y-Axis  [ZZ,ZZ]    : 45,0

Enter Specimen Density (Calculate by Averaging = 0.):0

        Intensity    Wt%   At%    Wt%-Ratio  At%-Ratio
-------------------------------------------------------

AL KA --------------10.28 21.75    1.0000    1.0000
NI KA --------------28.14 27.36    2.7382    1.2584
CR KA --------------24.87 27.31    2.4203    1.2560
 Y KA --------------36.72 23.58    3.5729    1.0843

          Analysis with Absorption Correction
-------------------------------------------------------

Electron Incidence Angle =    45.00

Thickness (nm)          =    100.00
Abs. Pathlength (nm)    =     78.02
Density                 =      5.36
Iterations              =         1

  -> Thin Film Approx = XPT<0.1 <-


     XPT FOR AL KA  =  0.117
  **Fails Thin Film Criterion**

     XPT for NI KA  =  0.007
     XPT for CR KA  =  0.009
     XPT for  Y KA  =  0.002

Change Absorption Parameters? [N]:N
Tabulate Element Parameters? [Y] :
Y



X-ray Generation Parameters for AL KA
_____________________________________
     Atomic Number        =    13.00
     Atomic Weight        =    26.98 [g/M]
     X-ray Line Energy    =     1.49 [keV]
     X-ray Edge Energy    =     1.56 [keV]
     Overvoltage          =   76.943
     Cross-section        =  2925.21 [Barns]
     Fluorescence Yield   =    0.038
     Partition Function   =    0.978
     Detector Efficiency  =    0.639




X-ray Generation Parameters for NI KA
_____________________________________
     Atomic Number        =    28.00
     Atomic Weight        =    58.71 [g/M]
     X-ray Line Energy    =     7.48 [keV]
     X-ray Edge Energy    =     8.33 [keV]
     Overvoltage          =   14.401
     Cross-section        =   280.07 [Barns]
     Fluorescence Yield   =    0.432
     Partition Function   =    0.878
     Detector Efficiency  =    0.984




X-ray Generation Parameters for CR KA
_____________________________________
     Atomic Number        =    24.00
     Atomic Weight        =    52.00 [g/M]
     X-ray Line Energy    =     5.41 [keV]
     X-ray Edge Energy    =     5.99 [keV]
     Overvoltage          =   20.036
     Cross-section        =   453.26 [Barns]
     Fluorescence Yield   =    0.273
     Partition Function   =    0.880
     Detector Efficiency  =    0.962




X-ray Generation Parameters for  Y KA
_____________________________________
     Atomic Number        =    39.00
     Atomic Weight        =    88.90 [g/M]
     X-ray Line Energy    =    14.96 [keV]
     X-ray Edge Energy    =    17.04 [keV]
     Overvoltage          =    7.043
     Cross-section        =   101.91 [Barns]
     Fluorescence Yield   =    0.711
     Partition Function   =    0.844
     Detector Efficiency  =    0.989

Tabulate Mass Abs. Coeff. [Y] : 
Y


Calculated Mass Absorption Coefficients
_______________________________________

          AL KA  in AL  =    382.88
          AL KA  in NI  =   4834.76
          AL KA  in CR  =   2996.84
          AL KA  in  Y  =   1794.15
     AL KA  in Compound =   2803.68


          NI KA  in AL  =     60.92
          NI KA  in NI  =     58.81
          NI KA  in CR  =    310.18
          NI KA  in  Y  =    156.86
     NI KA  in Compound =    157.54


          CR KA  in AL  =    149.45
          CR KA  in NI  =    141.97
          CR KA  in CR  =     88.00
          CR KA  in  Y  =    378.65
     CR KA  in Compound =    216.21


           Y KA  in AL  =      8.87
           Y KA  in NI  =     69.55
           Y KA  in CR  =     46.74
           Y KA  in  Y  =     23.63
      Y KA  in Compound =     40.78


Tabulate Detector/Microscope Parameters  [Y] : 
Y


Si(Li) Detector/Microscope Parameters
________________________________________
Parylene  thickness(cm)  =     0.0000E+00
Aluminium thickness(cm)  =     0.0000E+00
Beryllium thickness(cm)  =     1.0000E-03
Gold      thickness(cm)  =     3.0000E-06
Silicon Dead  layer(cm)  =     3.0000E-05
Silicon Act.  layer(cm)  =     3.0000E-01
X-ray Incid. Angle(deg)  =     0.0000
Detector Azimuth  (deg)  =    90.0000
Detector Elevation(deg)  =    20.0000
Detector Solid Angle(Sr) =     0.1300
FWHM of Mn K-alpha (eV)  =   171.0000
Constant for Mn K-alpha  =     4.3000
Incomplete Charge Const A=     0.0000
Incomplete Charge Const B=     0.0000

Do you wish to Enter more Data? [N]Y

------------------------------
  SELECT Type of Calculation
------------------------------
 COMPOSITION from Intensity=C
 INTENSITY from Composition=I
 Enter your Choice [C]     =I

Compositions in Wt% or At% ? [At%] AT

Accelerating Voltage (kV)? :  120

Number of Elements to be Analyzed ? :  3

Enter Element,Line,Composition of Peak Number  1  [A2,A2,REAL]
Y ,K ,1.

Enter Element,Line,Composition of Peak Number  2  [A2,A2,REAL]
BA,K ,2.  

Enter Element,Line,Composition of Peak Number  3  [A2,A2,REAL]
CU,K ,3.



         At%     Wt%  Rel. Int.
-------------------------------------------------------

 Y K   16.67   16.04    15.677
BA K   33.33   49.56     7.540
CU K   50.00   34.40    76.784

          Analysis by Thin Film Approximation
-------------------------------------------------------


Absorption Correction? [Y] Y

Enter Specimen Thickness (nm) along Beam Direction : 200

Enter  Specimen  Tilt:  X-Axis, Y-Axis  [ZZ,ZZ]    : 45,0

Enter Specimen Density (Calculate by Averaging = 0.):

         At%     Wt%  Rel. Int.
-------------------------------------------------------

 Y K  ------------------15.739
BA K  ------------------ 7.584
CU K  ------------------76.676

          Analysis with Absorption Correction
-------------------------------------------------------

Electron Incidence Angle =    45.00

Thickness (nm)          =    200.00
Abs. Pathlength (nm)    =    156.04
Density                 =      4.63
Iterations              =         0

  -> Thin Film Approx = XPT<0.1 <-

     XPT for  Y K   =  0.005
     XPT for BA K   =  0.001
     XPT for CU K   =  0.015

Change Absorption Parameters? [N]:Y

          Analysis by Thin Film Approximation
-------------------------------------------------------


Absorption Correction? [Y] Y

Enter Specimen Thickness (nm) along Beam Direction : 1000

Enter  Specimen  Tilt:  X-Axis, Y-Axis  [ZZ,ZZ]    : 10,0

Enter Specimen Density (Calculate by Averaging = 0.):

         At%     Wt%  Rel. Int.
-------------------------------------------------------

 Y K  ------------------16.462
BA K  ------------------ 8.105
CU K  ------------------75.432

          Analysis with Absorption Correction
-------------------------------------------------------

Electron Incidence Angle =    80.00

Thickness (nm)          =   1000.00
Abs. Pathlength (nm)    =   1969.62
Density                 =      4.63
Iterations              =         0

  -> Thin Film Approx = XPT<0.1 <-

     XPT for  Y K   =  0.057
     XPT for BA K   =  0.010

     XPT FOR CU K   =  0.193
  **Fails Thin Film Criterion**


Change Absorption Parameters? [N]:N
Tabulate Element Parameters? [Y] :
Y



X-ray Generation Parameters for  Y K

_____________________________________
     Atomic Number        =    39.00
     Atomic Weight        =    88.90 [g/M]
     X-ray Line Energy    =    14.96 [keV]
     X-ray Edge Energy    =    17.04 [keV]
     Overvoltage          =    7.043
     Cross-section        =   101.91 [Barns]
     Fluorescence Yield   =    0.711
     Partition Function   =    1.000
     Detector Efficiency  =    0.989




X-ray Generation Parameters for BA K

_____________________________________
     Atomic Number        =    56.00
     Atomic Weight        =   137.34 [g/M]
     X-ray Line Energy    =    32.20 [keV]
     X-ray Edge Energy    =    37.44 [keV]
     Overvoltage          =    3.205
     Cross-section        =    37.75 [Barns]
     Fluorescence Yield   =    0.900
     Partition Function   =    1.000
     Detector Efficiency  =    0.507




X-ray Generation Parameters for CU K

_____________________________________
     Atomic Number        =    29.00
     Atomic Weight        =    63.54 [g/M]
     X-ray Line Energy    =     8.05 [keV]
     X-ray Edge Energy    =     8.98 [keV]
     Overvoltage          =   13.365
     Cross-section        =   251.20 [Barns]
     Fluorescence Yield   =    0.472
     Partition Function   =    1.000
     Detector Efficiency  =    0.986

Tabulate Mass Abs. Coeff. [Y] : 
Y


Calculated Mass Absorption Coefficients
_______________________________________

           Y K   in  Y  =     23.63
           Y K   in BA  =     65.77
           Y K   in CU  =     76.06
      Y K   in Compound =     62.55


          BA K   in  Y  =     20.98
          BA K   in BA  =      8.36
          BA K   in CU  =      9.52
     BA K   in Compound =     10.78


          CU K   in  Y  =    128.39
          CU K   in BA  =    348.51
          CU K   in CU  =     53.56
     CU K   in Compound =    211.75


Tabulate Detector/Microscope Parameters  [Y] : 
Y


Si(Li) Detector/Microscope Parameters
________________________________________
Parylene  thickness(cm)  =     0.0000E+00
Aluminium thickness(cm)  =     0.0000E+00
Beryllium thickness(cm)  =     1.0000E-03
Gold      thickness(cm)  =     3.0000E-06
Silicon Dead  layer(cm)  =     3.0000E-05
Silicon Act.  layer(cm)  =     3.0000E-01
X-ray Incid. Angle(deg)  =     0.0000
Detector Azimuth  (deg)  =    90.0000
Detector Elevation(deg)  =    20.0000
Detector Solid Angle(Sr) =     0.1300
FWHM of Mn K-alpha (eV)  =   171.0000
Constant for Mn K-alpha  =     4.3000
Incomplete Charge Const A=     0.0000
Incomplete Charge Const B=     0.0000

N
STOP



This ends the documentation of NEDQNT