NISTZAF Files Explained (Part II)

1. NISTZAF Files Explained (Part II)

2. NISTZAF Files… • If you’re confused, let’s recap. • NISTZAF creates two files: • A setup file, containing all the information about the experimental conditions. • A samples/standards file, containing all the information about the composition or k-ratios of the samples/standards used for the analysis.

3. The sample/standards file • The sample/standards file is fairly straightforward. Let’s start with an example file: 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 8 2 1 "KGe standard" 2 32 0.25 19 0.75 0 11 2 1 "Sample #1" 0.5 0.5 11 3 "SiGe sample" .75 .36, 5, 10 12

4. Breaking it apart • The first value of any given line indicates what kind of information that line contains. They are separated by spaces, not commas. 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 8 2 1 "KGe standard" 2 32 0.25 19 0.75 0 11 2 1 "Sample #1" 0.5 0.5 11 3 "SiGe sample" .75 .36, 5, 10 12

5. First value codes • Here is the key for these codes: • 8: A standard. • 2: A sample with a composition entered. • 3: A sample with a k-ratio entered. • 4: A sample with raw data entered. • 6: Drift factors. • 13-17: Particle data (explained later). 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 8 2 1 "KGe standard" 2 32 0.25 19 0.75 0 11 2 1 "Sample #1" 0.5 0.5 11 3 "SiGe sample" .75 .36, 5, 10 12

6. Example Standard Standard Sample w/ Composition 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 8 2 1 "KGe standard" 2 32 0.25 19 0.75 0 11 2 1 "Sample #1" 0.5 0.5 11 3 "SiGe sample" .75 .36, 5, 10 12 Sample w/ K-ratio NOTE: just like in the other NISTZAF file, code 11 means there is more information to come, and code 12 indicates the end of a file.

7. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 Once again, 8 signifies that this line represents a standard.

8. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 The next code signifies which element the standard is for. In this case, 1 indicates that this standard is for the 1st element in the sample.

9. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 This code indicates what kind of measurement the composition is in. 1: Element Weight Fractions 2: Oxide Weight Fractions 3: Atomic Proportions

10. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 This is the title the user has chosen to for this standard.

11. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 This is the number of elements in the standard

12. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 For each element in the standard, 2 pieces of information are gathered. • The Atomic # • The amount in the specified units (in this case, atomic proportions)

13. Code 8: Standards 8 1 3 "SiO2 standard" 2 14 0.33333 8 0.66667 0 The last code is somewhat strange. It indicates whether or not a sample is calculated by stoiciometry. If a standard is calculated by stoiciometry, it will be 1. If not, it will be 0.

14. Code 2: Sample w/ Composition 2 1 "Sample #1" 0.5 0.5 Code 2 indicates that this line represents a sample with a composition.

15. Code 2: Sample w/ Composition 2 1 "Sample #1" 0.5 0.5 This code indicates what kind of measurement the composition is in. 1: Element Weight Fractions 2: Oxide Weight Fractions 3: Atomic Proportions

16. Code 2: Sample w/ Composition 2 1 "Sample #1" 0.5 0.5 The title the user has given to the sample

17. Code 2: Sample w/ Composition 2 1 "Sample #1" 0.5 0.5 For every element in the sample, the composition of that element, in the specified units.

18. Code 3: Sample w/ K-Ratios 3 "SiGe sample" .75 .36, 5, 10 Code 3 indicates that the line represents a sample with K-Ratios.

19. Code 3: Sample w/ K-Ratios 3 "SiGe sample" .75 .36, 5, 10 The title the user has given the sample

20. Code 3: Sample w/ K-Ratios 3 "SiGe sample" .75 .36, 5, 10 For each element in the sample, the K-Ratio of that particular element.

21. Code 3: Sample w/ K-Ratios 3 "SiGe sample" .75 .36, 5, 10 IF the user had selected to enter stage coordinates earlier, then the X and Y coordinates follow the K-Ratios. Otherwise, these values do not appear.

22. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Code 4 indicates that the line represents Raw Data from the user.

23. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 The title specified by the user for the sample

24. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 There are 8 fields that are entered in for each element in the sample. • Standard Background • Standard Peak • Standard Count time (seconds) • Standard Beam Current (nA) • Sample Background • Sample Peak • Sample Count time (seconds) • Sample Beam Current (nA)

25. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Standard Background

26. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Standard Peak

27. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Standard Count Time (Seconds)

28. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Standard Beam Current (nA)

29. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Sample Background

30. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Sample Peak

31. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Sample Count Time (seconds)

32. Code 4: Sample w/ Raw Data 4 "SiGe sample" 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Sample Beam Current (nA)

33. Code 6: Drift factors 6 1.2 1.4 Code 6 indicates that the line represents Drift Factors for compensating for beam fluctuation.

34. Code 6: Drift factors 6 1.2 1.4 Drift factors for each element

35. Special Particle Code In the event that the user selects the sample to be a particle or thin film, the user has the option of specifying special codes for particles. This information is optional.

36. Special Particle Code The information will always appear as a set of 5 lines, starting with a code 13 and ending with a code 17.

37. Code 13: Particle Model 13, 2, 0, 1 Code 13 indicates that the following line is a particle model, with information about the closest shape the particle matches.

38. Code 13: Particle Model 13, 2, 0, 1 The number of Particle models the user will run

39. Code 13: Particle Model 13, 2, 0, 1 For each model, the code for that model. 0: thin film, tps 1: rectangular prism 2: tetragonal 3: trigonal prism 4: square prism 5: Side-scatter modified rectangular prism

40. Code 14: Particle Diameter 14, 3, 1.2, 2.3, 3.4 Code 14 indicates the diameter of each of the particles. Up to 12 particle’s diameters can be specified.

41. Code 14: Particle Diameter 14, 3, 1.2, 2.3, 3.4 The number of particle diameters the user will specify.

42. Code 14: Particle Diameter 14, 3, 1.2, 2.3, 3.4 For each particle, a diameter in um.

43. Code 15: Sample Density 15, 2.3 Code 15 indicates there will be a sample density.

44. Code 15: Sample Density 15, 2.3 The sample density

45. Code 16: Ratio of Thickness to Diameter 16, 1.2 Code 16 indicates a ratio of thickness to diameter. The value is calculated this way: Particle Thickness / Particle Diameter

46. Code 16: Ratio of Thickness to Diameter 16, 1.2 The quotient of particle thickness and diameter is the ratio given here.

47. Code 17: Numerical Integration Step 17, 1e-005 17 indicates the numerical integration will follow.

48. Code 17: Numerical Integration Step 17, 1e-005 The delta value for the numerical integration that will occur during the analysis.

49. A Reminder about 11 and 12 Code 11 is mainly ignored by the program, and in later versions of NISTZAF may be removed entirely. Code 12 appears only at the end of a file. If it appears anywhere else in the file, it can cause problems.

50. That’s it, THE END! • That about wraps up the explanation of NISTZAF’s data files. • If you have questions, shout them aloud, someone will hear you.