You are to create a program to help in the analysis of data obtained from an x-ray powder diffractometer used to characterize materials. In the diffractometer a sample is exposed to x-rays of a specific wavelength and a detector placed on a goniometer is used to measure the angles where constructive interference of the diffracted beam occurs (called peaks) and the intensity of these peaks. The location of these peaks is dependent on the atomic structure of the material being examined. This relationship is given by Braggs law which states

n = 2dsin()

where n is the harmonic of the diffracted beam (n = 1 for these experiments), is the wavelength of the x-ray, d is the interplanar spacing between planes of specific orientation in the material and (theta) is the angle between the x-ray beam and the sample of the material. What is measured the goniometer is actually twice the angle () used Braggs law and is referred to as two-theta or 2.

You are to create a program that will read the 2-theta values and the intensities from a file and create a table that will contain the 2-theta values, the intensities, the d values and Q values where Q = 1/(sin())2 . The first line of the data file will contain the sample name which should be stored as a string object (note that this name may contain spaces). The second line will contain the anode (the elemental source of the x-ray) as a 2-character symbol which should also be stored as a string object. You will need to use this symbol to determine the wavelength of the x-ray using the table below. You should assume the format of the 2-character symbol will be an upper case letter followed by a lower case letter and the symbol will be one of those listed in the table below.

Anode Wavelength

Cu 1.54059

Cr 2.28973

Fe 1.93604

Co 1.78900

Mo 0.70932

The 2-theta (first column) and intensity values (second column) will start on the third line and continue on subsequent lines. The intensity values are whole numbers. You should design your program so it will continue to read data until the end of file is reached and count the number of peaks observed.

Your output should be a file that contains the name of the sample, the wavelength and a table containing the 2-theta and intensity values from the file plus the calculated d and Q values.

The wavelength should be output with 6 significant digits, the 2-theta values with 5 significant digits, the d values with 6 significant digits and the Q values with 7 significant digits. The table that you output should contain column headings then the values similar to the example given below. Your output file should have the extension .txt

Your program should allow the user to enter the name of the data file, but you do not need to worry about the folder path (assume the data file is in the same folder as your *.cpp file) and the name of the output file to be generated. A data file called Project2data.dat has been placed on CANVAS. This file contains different peaks than what is shown in the table below. This file can be opened with Notepad or Wordpad. Do not change the name of this file. Your program should also allow the user to analyze data from another file without rerunning the program.

"For sample Project 2 demo with anode of Cu and wavelength of 1.54059 the values are"

2-theta Intensity d values Q values

16.375 20 5.40889 49.30620

20.845 55 4.25800 30.55609

26.622 100 3.34567 18.86480

33.097 45 2.70443 12.32647

36.520 5 2.45842 10.18587

39.439 21 2.28293 8.783553

40.263 34 2.23809 8.441890

"There were 7 peaks in the file. Would you like to analyze data from another file (y/n)?"

Please do not use functions or arrays as we haven't learned them yet.

The contents of file "Project2data.dat" are as follows.

Sample XBN-2

Cr

12.002 35

13.867 10

19.659 5

23.095 17

24.137 21

27.942 33

30.507 100

31.320 78

34.398 95

36.556 45

39.928 1

41.842 6

42.464 34

44.882 3

46.631 67

47.202 2

49.438 88

51.067 57

51.602 46

53.702 22

55.241 51

57.745 34

59.214 10

59.699 7

61.614 13

63.028 23

63.496 41

65.347 27

66.718 25

67.172 2

68.972 18

70.308 42

72.510 24

73.818 16

74.253 5

75.980 9

77.268 12

77.695 19

80.671 3

81.094 11

82.780 18

84.041 7

86.136 35

87.390 4

87.808 8

89.479 9

90.731 11

91.149 2

92.819 1

94.074 16

94.493 10

96.170 22

97.431 6

99.542 2

100.814 8

101.239 11

102.947 18

104.236 2

104.667 1

106.400 9

107.710 14

108.149 2

109.915 8

111.253 9

113.511 19

114.884 2

115.345 4

117.207 7

118.624 1

121.031 5

122.504 12

123.000 3

125.014 6

126.558 7

129.203 2

130.839 8

131.393 1

133.659 2

135.416 7

136.013 2

Thank You