在 Gnuplot 中绘制 XRD 图案
Plotting XRD pattern in Gnuplot
我想使用 Gnuplot 绘制 XRD 图案。数据文件如下
# User :
# Journal :
# Sample Details :
# Col 1: 2theta (deg.), Col 2: Intensity (a.u.)
20 88
20.05 92
20.1 96
20.15 88
20.2 84
20.25 100
20.3 94
20.35 84
20.4 78
20.45 81
20.5 86
20.55 92
20.6 85
20.65 74
20.7 83
20.75 74
20.8 87
20.85 67
20.9 85
20.95 83
21 90
21.05 81
21.1 87
21.15 84
21.2 83
21.25 84
21.3 86
21.35 92
21.4 92
21.45 73
21.5 97
21.55 96
21.6 88
21.65 95
21.7 93
21.75 83
21.8 91
21.85 91
21.9 76
21.95 85
22 89
22.05 87
22.1 72
22.15 85
22.2 71
22.25 68
22.3 75
22.35 63
22.4 64
22.45 76
22.5 72
22.55 78
22.6 62
22.65 80
22.7 80
22.75 78
22.8 85
22.85 62
22.9 74
22.95 84
23 73
23.05 76
23.1 83
23.15 48
23.2 74
23.25 79
23.3 75
23.35 70
23.4 94
23.45 80
23.5 79
23.55 69
23.6 73
23.65 55
23.7 72
23.75 59
23.8 87
23.85 76
23.9 70
23.95 76
24 74
24.05 76
24.1 89
24.15 79
24.2 84
24.25 72
24.3 69
24.35 74
24.4 72
24.45 85
24.5 65
24.55 85
24.6 68
24.65 71
24.7 70
24.75 70
24.8 75
24.85 73
24.9 79
24.95 76
25 78
25.05 68
25.1 67
25.15 62
25.2 72
25.25 65
25.3 78
25.35 74
25.4 67
25.45 77
25.5 70
25.55 82
25.6 80
25.65 64
25.7 71
25.75 67
25.8 70
25.85 73
25.9 80
25.95 69
26 61
26.05 82
26.1 86
26.15 83
26.2 88
26.25 68
26.3 78
26.35 66
26.4 71
26.45 69
26.5 61
26.55 73
26.6 74
26.65 83
26.7 72
26.75 82
26.8 84
26.85 72
26.9 68
26.95 72
27 63
27.05 66
27.1 68
27.15 65
27.2 75
27.25 72
27.3 66
27.35 58
27.4 67
27.45 73
27.5 74
27.55 84
27.6 80
27.65 82
27.7 70
27.75 71
27.8 70
27.85 76
27.9 73
27.95 85
28 82
28.05 75
28.1 70
28.15 85
28.2 80
28.25 96
28.3 126
28.35 173
28.4 219
28.45 270
28.5 214
28.55 158
28.6 105
28.65 78
28.7 75
28.75 82
28.8 83
28.85 74
28.9 79
28.95 77
29 61
29.05 75
29.1 75
29.15 65
29.2 69
29.25 79
29.3 68
29.35 78
29.4 74
29.45 57
29.5 75
29.55 65
29.6 69
29.65 83
29.7 72
29.75 69
29.8 65
29.85 68
29.9 89
29.95 79
30 84
30.05 110
30.1 129
30.15 146
30.2 150
30.25 136
30.3 117
30.35 81
30.4 72
30.45 85
30.5 75
30.55 71
30.6 70
30.65 72
30.7 87
30.75 67
30.8 71
30.85 75
30.9 80
30.95 76
31 78
31.05 72
31.1 66
31.15 85
31.2 61
31.25 62
31.3 69
31.35 75
31.4 51
31.45 48
31.5 55
31.55 77
31.6 66
31.65 84
31.7 64
31.75 69
31.8 74
31.85 53
31.9 77
31.95 68
32 74
32.05 53
32.1 67
32.15 61
32.2 68
32.25 77
32.3 62
32.35 57
32.4 62
32.45 62
32.5 62
32.55 66
32.6 56
32.65 55
32.7 62
32.75 61
32.8 67
32.85 74
32.9 49
32.95 66
33 82
33.05 57
33.1 59
33.15 61
33.2 62
33.25 74
33.3 60
33.35 72
33.4 66
33.45 71
33.5 58
33.55 66
33.6 59
33.65 66
33.7 53
33.75 70
33.8 52
33.85 66
33.9 58
33.95 65
34 47
34.05 51
34.1 56
34.15 55
34.2 77
34.25 70
34.3 64
34.35 59
34.4 62
34.45 51
34.5 62
34.55 48
34.6 45
34.65 59
34.7 65
34.75 64
34.8 83
34.85 75
34.9 125
34.95 149
35 152
35.05 120
35.1 84
35.15 76
35.2 70
35.25 63
35.3 68
35.35 51
35.4 64
35.45 62
35.5 58
35.55 63
35.6 67
35.65 68
35.7 62
35.75 58
35.8 59
35.85 48
35.9 53
35.95 55
36 54
36.05 56
36.1 49
36.15 53
36.2 66
36.25 60
36.3 63
36.35 61
36.4 48
36.45 67
36.5 61
36.55 50
36.6 48
36.65 46
36.7 70
36.75 54
36.8 62
36.85 62
36.9 45
36.95 56
37 44
37.05 59
37.1 58
37.15 53
37.2 49
37.25 49
37.3 54
37.35 51
37.4 48
37.45 49
37.5 56
37.55 47
37.6 53
37.65 50
37.7 47
37.75 48
37.8 64
37.85 61
37.9 56
37.95 44
38 44
38.05 43
38.1 45
38.15 51
38.2 61
38.25 48
38.3 39
38.35 58
38.4 50
38.45 56
38.5 49
38.55 54
38.6 47
38.65 47
38.7 46
38.75 49
38.8 43
38.85 50
38.9 51
38.95 60
39 69
39.05 46
39.1 68
39.15 44
39.2 42
39.25 46
39.3 52
39.35 43
39.4 46
39.45 52
39.5 57
39.55 46
39.6 48
39.65 47
39.7 51
39.75 61
39.8 48
39.85 53
39.9 59
39.95 46
40 53
40.05 51
40.1 49
40.15 56
40.2 49
40.25 50
40.3 52
40.35 58
40.4 62
40.45 99
40.5 119
40.55 161
40.6 135
40.65 163
40.7 130
40.75 105
40.8 80
40.85 68
40.9 53
40.95 55
41 53
41.05 54
41.1 59
41.15 56
41.2 53
41.25 52
41.3 46
41.35 47
41.4 44
41.45 57
41.5 49
41.55 48
41.6 42
41.65 45
41.7 46
41.75 48
41.8 44
41.85 51
41.9 45
41.95 54
42 44
42.05 46
42.1 43
42.15 53
42.2 50
42.25 38
42.3 42
42.35 51
42.4 51
42.45 42
42.5 36
42.55 36
42.6 53
42.65 44
42.7 38
42.75 45
42.8 55
42.85 33
42.9 50
42.95 58
43 48
43.05 46
43.1 51
43.15 44
43.2 58
43.25 47
43.3 47
43.35 59
43.4 42
43.45 50
43.5 50
43.55 45
43.6 48
43.65 51
43.7 38
43.75 51
43.8 57
43.85 49
43.9 59
43.95 40
44 41
44.05 39
44.1 37
44.15 43
44.2 43
44.25 52
44.3 50
44.35 46
44.4 41
44.45 48
44.5 44
44.55 40
44.6 47
44.65 39
44.7 49
44.75 49
44.8 44
44.85 38
44.9 44
44.95 53
45 46
45.05 51
45.1 31
45.15 38
45.2 51
45.25 42
45.3 47
45.35 46
45.4 37
45.45 66
45.5 53
45.55 40
45.6 45
45.65 39
45.7 47
45.75 39
45.8 45
45.85 38
45.9 48
45.95 42
46 35
46.05 46
46.1 45
46.15 34
46.2 55
46.25 39
46.3 35
46.35 50
46.4 32
46.45 49
46.5 50
46.55 36
46.6 46
46.65 51
46.7 41
46.75 41
46.8 53
46.85 54
46.9 50
46.95 43
47 44
47.05 61
47.1 36
47.15 43
47.2 48
47.25 38
47.3 46
47.35 48
47.4 51
47.45 42
47.5 51
47.55 37
47.6 40
47.65 49
47.7 33
47.75 36
47.8 41
47.85 49
47.9 39
47.95 42
48 58
48.05 51
48.1 43
48.15 48
48.2 46
48.25 34
48.3 44
48.35 39
48.4 44
48.45 46
48.5 35
48.55 35
48.6 51
48.65 43
48.7 45
48.75 54
48.8 48
48.85 41
48.9 49
48.95 52
49 36
49.05 42
49.1 38
49.15 44
49.2 44
49.25 38
49.3 49
49.35 54
49.4 52
49.45 39
49.5 41
49.55 66
49.6 51
49.65 38
49.7 34
49.75 52
49.8 46
49.85 60
49.9 47
49.95 45
50 68
50.05 66
50.1 68
50.15 89
50.2 133
50.25 137
50.3 125
50.35 124
50.4 103
50.45 88
50.5 72
50.55 59
50.6 56
50.65 46
50.7 39
50.75 51
50.8 27
50.85 45
50.9 41
50.95 43
51 51
51.05 49
51.1 45
51.15 38
51.2 48
51.25 43
51.3 42
51.35 44
51.4 45
51.45 49
51.5 40
51.55 43
51.6 37
51.65 50
51.7 47
51.75 37
51.8 39
51.85 43
51.9 42
51.95 40
52 45
52.05 34
52.1 32
52.15 43
52.2 37
52.25 47
52.3 62
52.35 36
52.4 45
52.45 36
52.5 37
52.55 38
52.6 37
52.65 35
52.7 38
52.75 47
52.8 40
52.85 50
52.9 50
52.95 44
53 44
53.05 35
53.1 46
53.15 43
53.2 40
53.25 57
53.3 29
53.35 39
53.4 39
53.45 43
53.5 51
53.55 44
53.6 53
53.65 40
53.7 41
53.75 59
53.8 46
53.85 46
53.9 57
53.95 52
54 48
54.05 50
54.1 40
54.15 42
54.2 46
54.25 48
54.3 47
54.35 42
54.4 49
54.45 43
54.5 43
54.55 54
54.6 44
54.65 40
54.7 45
54.75 34
54.8 42
54.85 40
54.9 34
54.95 43
55 51
55.05 56
55.1 42
55.15 37
55.2 41
55.25 49
55.3 53
55.35 46
55.4 47
55.45 39
55.5 43
55.55 43
55.6 41
55.65 38
55.7 36
55.75 55
55.8 45
55.85 37
55.9 47
55.95 50
56 46
56.05 51
56.1 51
56.15 56
56.2 31
56.25 44
56.3 41
56.35 45
56.4 45
56.45 49
56.5 45
56.55 60
56.6 30
56.65 38
56.7 51
56.75 54
56.8 45
56.85 38
56.9 40
56.95 41
57 36
57.05 35
57.1 45
57.15 41
57.2 49
57.25 36
57.3 38
57.35 43
57.4 43
57.45 41
57.5 42
57.55 42
57.6 41
57.65 39
57.7 37
57.75 48
57.8 42
57.85 56
57.9 45
57.95 39
58 51
58.05 40
58.1 47
58.15 39
58.2 46
58.25 37
58.3 41
58.35 36
58.4 50
58.45 42
58.5 58
58.55 36
58.6 59
58.65 57
58.7 57
58.75 68
58.8 61
58.85 68
58.9 58
58.95 54
59 53
59.05 59
59.1 48
59.15 49
59.2 42
59.25 49
59.3 45
59.35 38
59.4 44
59.45 54
59.5 37
59.55 52
59.6 62
59.65 70
59.7 73
59.75 88
59.8 69
59.85 62
59.9 60
59.95 51
60 59
60.05 51
60.1 45
60.15 45
60.2 39
60.25 55
60.3 48
60.35 45
60.4 34
60.45 47
60.5 32
60.55 40
60.6 40
60.65 54
60.7 35
60.75 50
60.8 40
60.85 34
60.9 39
60.95 31
61 27
61.05 45
61.1 47
61.15 41
61.2 34
61.25 46
61.3 42
61.35 33
61.4 45
61.45 41
61.5 31
61.55 42
61.6 40
61.65 32
61.7 35
61.75 33
61.8 45
61.85 48
61.9 50
61.95 44
62 36
62.05 34
62.1 44
62.15 47
62.2 40
62.25 42
62.3 50
62.35 51
62.4 43
62.45 46
62.5 59
62.55 50
62.6 56
62.65 63
62.7 67
62.75 54
62.8 61
62.85 54
62.9 43
62.95 44
63 36
63.05 49
63.1 41
63.15 46
63.2 44
63.25 36
63.3 34
63.35 36
63.4 58
63.45 42
63.5 40
63.55 48
63.6 43
63.65 35
63.7 36
63.75 42
63.8 41
63.85 40
63.9 39
63.95 40
64 32
64.05 46
64.1 44
64.15 41
64.2 44
64.25 35
64.3 45
64.35 46
64.4 37
64.45 43
64.5 36
64.55 40
64.6 36
64.65 45
64.7 38
64.75 42
64.8 37
64.85 39
64.9 50
64.95 40
65 28
65.05 34
65.1 41
65.15 42
65.2 40
65.25 45
65.3 34
65.35 44
65.4 49
65.45 49
65.5 46
65.55 36
65.6 40
65.65 51
65.7 30
65.75 48
65.8 34
65.85 52
65.9 32
65.95 43
66 41
66.05 42
66.1 61
66.15 57
66.2 55
66.25 44
66.3 63
66.35 78
66.4 80
66.45 77
66.5 98
66.55 86
66.6 81
66.65 61
66.7 62
66.75 59
66.8 54
66.85 50
66.9 52
66.95 32
67 35
67.05 39
67.1 47
67.15 39
67.2 51
67.25 53
67.3 35
67.35 41
67.4 38
67.45 25
67.5 48
67.55 41
67.6 37
67.65 45
67.7 37
67.75 29
67.8 32
67.85 28
67.9 31
67.95 41
68 33
68.05 44
68.1 48
68.15 39
68.2 46
68.25 49
68.3 39
68.35 40
68.4 50
68.45 40
68.5 54
68.55 44
68.6 35
68.65 31
68.7 46
68.75 28
68.8 38
68.85 29
68.9 34
68.95 43
69 49
69.05 37
69.1 43
69.15 44
69.2 31
69.25 33
69.3 43
69.35 47
69.4 42
69.45 39
69.5 37
69.55 35
69.6 42
69.65 44
69.7 37
69.75 53
69.8 24
69.85 35
69.9 41
69.95 34
70 42
70.05 37
70.1 22
70.15 47
70.2 35
70.25 31
70.3 52
70.35 37
70.4 41
70.45 40
70.5 47
70.55 44
70.6 39
70.65 47
70.7 30
70.75 39
70.8 41
70.85 36
70.9 25
70.95 41
71 33
71.05 35
71.1 32
71.15 35
71.2 38
71.25 45
71.3 45
71.35 57
71.4 41
71.45 30
71.5 28
71.55 34
71.6 42
71.65 41
71.7 32
71.75 25
71.8 43
71.85 45
71.9 33
71.95 34
72 44
72.05 43
72.1 45
72.15 42
72.2 42
72.25 30
72.3 44
72.35 47
72.4 36
72.45 45
72.5 40
72.55 45
72.6 33
72.65 39
72.7 47
72.75 39
72.8 40
72.85 34
72.9 39
72.95 30
73 31
73.05 37
73.1 35
73.15 39
73.2 37
73.25 34
73.3 38
73.35 41
73.4 34
73.45 50
73.5 46
73.55 44
73.6 54
73.65 57
73.7 81
73.75 71
73.8 83
73.85 80
73.9 70
73.95 50
74 61
74.05 39
74.1 58
74.15 46
74.2 33
74.25 40
74.3 41
74.35 38
74.4 48
74.45 49
74.5 46
74.55 39
74.6 46
74.65 43
74.7 31
74.75 37
74.8 32
74.85 32
74.9 44
74.95 34
75 29
75.05 31
75.1 33
75.15 52
75.2 32
75.25 29
75.3 29
75.35 36
75.4 28
75.45 28
75.5 45
75.55 25
75.6 30
75.65 26
75.7 32
75.75 32
75.8 44
75.85 40
75.9 30
75.95 34
76 44
76.05 41
76.1 46
76.15 30
76.2 39
76.25 38
76.3 43
76.35 30
76.4 47
76.45 31
76.5 34
76.55 36
76.6 45
76.65 36
76.7 32
76.75 30
76.8 34
76.85 37
76.9 37
76.95 41
77 37
77.05 30
77.1 40
77.15 47
77.2 34
77.25 44
77.3 35
77.35 41
77.4 33
77.45 36
77.5 29
77.55 38
77.6 32
77.65 45
77.7 34
77.75 29
77.8 36
77.85 33
77.9 35
77.95 34
78 40
78.05 43
78.1 33
78.15 35
78.2 40
78.25 43
78.3 38
78.35 38
78.4 43
78.45 40
78.5 42
78.55 38
78.6 34
78.65 34
78.7 40
78.75 37
78.8 37
78.85 39
78.9 47
78.95 40
79 35
79.05 34
79.1 40
79.15 39
79.2 33
79.25 38
79.3 32
79.35 48
79.4 39
79.45 35
79.5 37
79.55 32
79.6 40
79.65 36
79.7 40
79.75 40
79.8 26
79.85 39
79.9 49
79.95 36
80 43
下面提供了我的脚本
set terminal postscript eps enhanced colour font 'Times-Roman,12' size 4in,3in
set output "XRD_E1.eps"
set style line 1 lt 1 lw 1 lc rgb "black"
set xtics out scale 1.5
set ytics out scale 1.5
set yrange [0:350]
set format y ''
set tics font ",16"
set xlabel "2{/Symbol 1} (deg.)" font ",16"
set ylabel "Intensity (a.u.)" font ",16"
set key inside right top
set key title "As prepared LiCl-KCl \n " font ",14"
##
set label 1 '(200)' font ",12" at 28.45, 280 point pt 7 ps 1.75 lt rgb "red" offset -0.50, 0.50 rotate by 90
set label 2 '(111)' font ",12" at 30.20, 160 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 3 '(200)' font ",12" at 35.00, 160 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 4 '(220)' font ",12" at 40.65, 173 point pt 7 ps 1.75 lt rgb "red" offset -0.50,0.50 rotate by 90
set label 5 '(220)' font ",12" at 50.25, 147 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 6 '(400)' font ",12" at 58.85, 78 point pt 7 ps 1.75 lt rgb "red" offset -1.00,0.50 rotate by 90
set label 7 '(311)' font ",12" at 59.75, 98 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 8 '(222)' font ",12" at 62.70, 77 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 9 '(420)' font ",12" at 66.50, 108 point pt 7 ps 1.75 lt rgb "red" offset -0.50,0.50 rotate by 90
set label 10 '(222)' font ",12" at 73.80, 93 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
##
plot [10:90] 'XRD_E1.dat' u 1:2 w l ls 1 notitle
脚本运行良好。我只需要在关键标题中以适当的间距包含绘图中使用的点类型。
其次，有没有比脚本中提供的更好的绘图和标记方法？
谢谢
如果我理解的很好，你想要这样的东西：
为此，请使用以下代码扩展您的代码：
set key horizontal
plot [10:90] 'XRD_E1.dat' u 1:2 w l ls 1 notitle, 1/0 w p pt 7 ps 1.75 lc rgb "red" t 'LiCl', 1/0 w p pt 7 ps 1.75 lc rgb "blue" t 'KCl'
@Suddhasattwa Ghosh，如果这仍然很有趣，您可以简单地绘制您的标记 with labels point（检查 help labels）。将峰值数据放入数据块或单独的文件中。
脚本：
### print with labels and points
reset session
FILE = 'XRD_E1.dat'
set tics font ",16"
set xlabel "2{/Symbol 1} (deg.)" font ",16"
set xtics out scale 1.5
set ylabel "Intensity (a.u.)" font ",16"
set yrange [0:350]
set format y ''
set ytics out scale 1.5
set key inside right top noautotitle font ",12" title "As prepared LiCl-KCl \n " font ",14"
$LiCl <<EOD
(200) 28.45 280
(220) 40.65 173
(400) 58.85 78
(420) 66.50 108
EOD
$KCl <<EOD
(111) 30.20 160
(200) 35.00 160
(220) 50.25 147
(311) 59.75 98
(222) 62.70 77
(222) 73.80 93
EOD
plot FILE u 1:2 w l lc "black", \
$LiCl u 2:3:1 w labels point pt 7 lc "red" offset -0.5,0.5 left rotate by 90 font ",12" ti "LiCl", \
$KCl u 2:3:1 w labels point pt 7 lc "blue" offset -0.5,0.5 left rotate by 90 font ",12" ti "KCl"
### end of script
结果：
我想使用 Gnuplot 绘制 XRD 图案。数据文件如下
# User :
# Journal :
# Sample Details :
# Col 1: 2theta (deg.), Col 2: Intensity (a.u.)
20 88
20.05 92
20.1 96
20.15 88
20.2 84
20.25 100
20.3 94
20.35 84
20.4 78
20.45 81
20.5 86
20.55 92
20.6 85
20.65 74
20.7 83
20.75 74
20.8 87
20.85 67
20.9 85
20.95 83
21 90
21.05 81
21.1 87
21.15 84
21.2 83
21.25 84
21.3 86
21.35 92
21.4 92
21.45 73
21.5 97
21.55 96
21.6 88
21.65 95
21.7 93
21.75 83
21.8 91
21.85 91
21.9 76
21.95 85
22 89
22.05 87
22.1 72
22.15 85
22.2 71
22.25 68
22.3 75
22.35 63
22.4 64
22.45 76
22.5 72
22.55 78
22.6 62
22.65 80
22.7 80
22.75 78
22.8 85
22.85 62
22.9 74
22.95 84
23 73
23.05 76
23.1 83
23.15 48
23.2 74
23.25 79
23.3 75
23.35 70
23.4 94
23.45 80
23.5 79
23.55 69
23.6 73
23.65 55
23.7 72
23.75 59
23.8 87
23.85 76
23.9 70
23.95 76
24 74
24.05 76
24.1 89
24.15 79
24.2 84
24.25 72
24.3 69
24.35 74
24.4 72
24.45 85
24.5 65
24.55 85
24.6 68
24.65 71
24.7 70
24.75 70
24.8 75
24.85 73
24.9 79
24.95 76
25 78
25.05 68
25.1 67
25.15 62
25.2 72
25.25 65
25.3 78
25.35 74
25.4 67
25.45 77
25.5 70
25.55 82
25.6 80
25.65 64
25.7 71
25.75 67
25.8 70
25.85 73
25.9 80
25.95 69
26 61
26.05 82
26.1 86
26.15 83
26.2 88
26.25 68
26.3 78
26.35 66
26.4 71
26.45 69
26.5 61
26.55 73
26.6 74
26.65 83
26.7 72
26.75 82
26.8 84
26.85 72
26.9 68
26.95 72
27 63
27.05 66
27.1 68
27.15 65
27.2 75
27.25 72
27.3 66
27.35 58
27.4 67
27.45 73
27.5 74
27.55 84
27.6 80
27.65 82
27.7 70
27.75 71
27.8 70
27.85 76
27.9 73
27.95 85
28 82
28.05 75
28.1 70
28.15 85
28.2 80
28.25 96
28.3 126
28.35 173
28.4 219
28.45 270
28.5 214
28.55 158
28.6 105
28.65 78
28.7 75
28.75 82
28.8 83
28.85 74
28.9 79
28.95 77
29 61
29.05 75
29.1 75
29.15 65
29.2 69
29.25 79
29.3 68
29.35 78
29.4 74
29.45 57
29.5 75
29.55 65
29.6 69
29.65 83
29.7 72
29.75 69
29.8 65
29.85 68
29.9 89
29.95 79
30 84
30.05 110
30.1 129
30.15 146
30.2 150
30.25 136
30.3 117
30.35 81
30.4 72
30.45 85
30.5 75
30.55 71
30.6 70
30.65 72
30.7 87
30.75 67
30.8 71
30.85 75
30.9 80
30.95 76
31 78
31.05 72
31.1 66
31.15 85
31.2 61
31.25 62
31.3 69
31.35 75
31.4 51
31.45 48
31.5 55
31.55 77
31.6 66
31.65 84
31.7 64
31.75 69
31.8 74
31.85 53
31.9 77
31.95 68
32 74
32.05 53
32.1 67
32.15 61
32.2 68
32.25 77
32.3 62
32.35 57
32.4 62
32.45 62
32.5 62
32.55 66
32.6 56
32.65 55
32.7 62
32.75 61
32.8 67
32.85 74
32.9 49
32.95 66
33 82
33.05 57
33.1 59
33.15 61
33.2 62
33.25 74
33.3 60
33.35 72
33.4 66
33.45 71
33.5 58
33.55 66
33.6 59
33.65 66
33.7 53
33.75 70
33.8 52
33.85 66
33.9 58
33.95 65
34 47
34.05 51
34.1 56
34.15 55
34.2 77
34.25 70
34.3 64
34.35 59
34.4 62
34.45 51
34.5 62
34.55 48
34.6 45
34.65 59
34.7 65
34.75 64
34.8 83
34.85 75
34.9 125
34.95 149
35 152
35.05 120
35.1 84
35.15 76
35.2 70
35.25 63
35.3 68
35.35 51
35.4 64
35.45 62
35.5 58
35.55 63
35.6 67
35.65 68
35.7 62
35.75 58
35.8 59
35.85 48
35.9 53
35.95 55
36 54
36.05 56
36.1 49
36.15 53
36.2 66
36.25 60
36.3 63
36.35 61
36.4 48
36.45 67
36.5 61
36.55 50
36.6 48
36.65 46
36.7 70
36.75 54
36.8 62
36.85 62
36.9 45
36.95 56
37 44
37.05 59
37.1 58
37.15 53
37.2 49
37.25 49
37.3 54
37.35 51
37.4 48
37.45 49
37.5 56
37.55 47
37.6 53
37.65 50
37.7 47
37.75 48
37.8 64
37.85 61
37.9 56
37.95 44
38 44
38.05 43
38.1 45
38.15 51
38.2 61
38.25 48
38.3 39
38.35 58
38.4 50
38.45 56
38.5 49
38.55 54
38.6 47
38.65 47
38.7 46
38.75 49
38.8 43
38.85 50
38.9 51
38.95 60
39 69
39.05 46
39.1 68
39.15 44
39.2 42
39.25 46
39.3 52
39.35 43
39.4 46
39.45 52
39.5 57
39.55 46
39.6 48
39.65 47
39.7 51
39.75 61
39.8 48
39.85 53
39.9 59
39.95 46
40 53
40.05 51
40.1 49
40.15 56
40.2 49
40.25 50
40.3 52
40.35 58
40.4 62
40.45 99
40.5 119
40.55 161
40.6 135
40.65 163
40.7 130
40.75 105
40.8 80
40.85 68
40.9 53
40.95 55
41 53
41.05 54
41.1 59
41.15 56
41.2 53
41.25 52
41.3 46
41.35 47
41.4 44
41.45 57
41.5 49
41.55 48
41.6 42
41.65 45
41.7 46
41.75 48
41.8 44
41.85 51
41.9 45
41.95 54
42 44
42.05 46
42.1 43
42.15 53
42.2 50
42.25 38
42.3 42
42.35 51
42.4 51
42.45 42
42.5 36
42.55 36
42.6 53
42.65 44
42.7 38
42.75 45
42.8 55
42.85 33
42.9 50
42.95 58
43 48
43.05 46
43.1 51
43.15 44
43.2 58
43.25 47
43.3 47
43.35 59
43.4 42
43.45 50
43.5 50
43.55 45
43.6 48
43.65 51
43.7 38
43.75 51
43.8 57
43.85 49
43.9 59
43.95 40
44 41
44.05 39
44.1 37
44.15 43
44.2 43
44.25 52
44.3 50
44.35 46
44.4 41
44.45 48
44.5 44
44.55 40
44.6 47
44.65 39
44.7 49
44.75 49
44.8 44
44.85 38
44.9 44
44.95 53
45 46
45.05 51
45.1 31
45.15 38
45.2 51
45.25 42
45.3 47
45.35 46
45.4 37
45.45 66
45.5 53
45.55 40
45.6 45
45.65 39
45.7 47
45.75 39
45.8 45
45.85 38
45.9 48
45.95 42
46 35
46.05 46
46.1 45
46.15 34
46.2 55
46.25 39
46.3 35
46.35 50
46.4 32
46.45 49
46.5 50
46.55 36
46.6 46
46.65 51
46.7 41
46.75 41
46.8 53
46.85 54
46.9 50
46.95 43
47 44
47.05 61
47.1 36
47.15 43
47.2 48
47.25 38
47.3 46
47.35 48
47.4 51
47.45 42
47.5 51
47.55 37
47.6 40
47.65 49
47.7 33
47.75 36
47.8 41
47.85 49
47.9 39
47.95 42
48 58
48.05 51
48.1 43
48.15 48
48.2 46
48.25 34
48.3 44
48.35 39
48.4 44
48.45 46
48.5 35
48.55 35
48.6 51
48.65 43
48.7 45
48.75 54
48.8 48
48.85 41
48.9 49
48.95 52
49 36
49.05 42
49.1 38
49.15 44
49.2 44
49.25 38
49.3 49
49.35 54
49.4 52
49.45 39
49.5 41
49.55 66
49.6 51
49.65 38
49.7 34
49.75 52
49.8 46
49.85 60
49.9 47
49.95 45
50 68
50.05 66
50.1 68
50.15 89
50.2 133
50.25 137
50.3 125
50.35 124
50.4 103
50.45 88
50.5 72
50.55 59
50.6 56
50.65 46
50.7 39
50.75 51
50.8 27
50.85 45
50.9 41
50.95 43
51 51
51.05 49
51.1 45
51.15 38
51.2 48
51.25 43
51.3 42
51.35 44
51.4 45
51.45 49
51.5 40
51.55 43
51.6 37
51.65 50
51.7 47
51.75 37
51.8 39
51.85 43
51.9 42
51.95 40
52 45
52.05 34
52.1 32
52.15 43
52.2 37
52.25 47
52.3 62
52.35 36
52.4 45
52.45 36
52.5 37
52.55 38
52.6 37
52.65 35
52.7 38
52.75 47
52.8 40
52.85 50
52.9 50
52.95 44
53 44
53.05 35
53.1 46
53.15 43
53.2 40
53.25 57
53.3 29
53.35 39
53.4 39
53.45 43
53.5 51
53.55 44
53.6 53
53.65 40
53.7 41
53.75 59
53.8 46
53.85 46
53.9 57
53.95 52
54 48
54.05 50
54.1 40
54.15 42
54.2 46
54.25 48
54.3 47
54.35 42
54.4 49
54.45 43
54.5 43
54.55 54
54.6 44
54.65 40
54.7 45
54.75 34
54.8 42
54.85 40
54.9 34
54.95 43
55 51
55.05 56
55.1 42
55.15 37
55.2 41
55.25 49
55.3 53
55.35 46
55.4 47
55.45 39
55.5 43
55.55 43
55.6 41
55.65 38
55.7 36
55.75 55
55.8 45
55.85 37
55.9 47
55.95 50
56 46
56.05 51
56.1 51
56.15 56
56.2 31
56.25 44
56.3 41
56.35 45
56.4 45
56.45 49
56.5 45
56.55 60
56.6 30
56.65 38
56.7 51
56.75 54
56.8 45
56.85 38
56.9 40
56.95 41
57 36
57.05 35
57.1 45
57.15 41
57.2 49
57.25 36
57.3 38
57.35 43
57.4 43
57.45 41
57.5 42
57.55 42
57.6 41
57.65 39
57.7 37
57.75 48
57.8 42
57.85 56
57.9 45
57.95 39
58 51
58.05 40
58.1 47
58.15 39
58.2 46
58.25 37
58.3 41
58.35 36
58.4 50
58.45 42
58.5 58
58.55 36
58.6 59
58.65 57
58.7 57
58.75 68
58.8 61
58.85 68
58.9 58
58.95 54
59 53
59.05 59
59.1 48
59.15 49
59.2 42
59.25 49
59.3 45
59.35 38
59.4 44
59.45 54
59.5 37
59.55 52
59.6 62
59.65 70
59.7 73
59.75 88
59.8 69
59.85 62
59.9 60
59.95 51
60 59
60.05 51
60.1 45
60.15 45
60.2 39
60.25 55
60.3 48
60.35 45
60.4 34
60.45 47
60.5 32
60.55 40
60.6 40
60.65 54
60.7 35
60.75 50
60.8 40
60.85 34
60.9 39
60.95 31
61 27
61.05 45
61.1 47
61.15 41
61.2 34
61.25 46
61.3 42
61.35 33
61.4 45
61.45 41
61.5 31
61.55 42
61.6 40
61.65 32
61.7 35
61.75 33
61.8 45
61.85 48
61.9 50
61.95 44
62 36
62.05 34
62.1 44
62.15 47
62.2 40
62.25 42
62.3 50
62.35 51
62.4 43
62.45 46
62.5 59
62.55 50
62.6 56
62.65 63
62.7 67
62.75 54
62.8 61
62.85 54
62.9 43
62.95 44
63 36
63.05 49
63.1 41
63.15 46
63.2 44
63.25 36
63.3 34
63.35 36
63.4 58
63.45 42
63.5 40
63.55 48
63.6 43
63.65 35
63.7 36
63.75 42
63.8 41
63.85 40
63.9 39
63.95 40
64 32
64.05 46
64.1 44
64.15 41
64.2 44
64.25 35
64.3 45
64.35 46
64.4 37
64.45 43
64.5 36
64.55 40
64.6 36
64.65 45
64.7 38
64.75 42
64.8 37
64.85 39
64.9 50
64.95 40
65 28
65.05 34
65.1 41
65.15 42
65.2 40
65.25 45
65.3 34
65.35 44
65.4 49
65.45 49
65.5 46
65.55 36
65.6 40
65.65 51
65.7 30
65.75 48
65.8 34
65.85 52
65.9 32
65.95 43
66 41
66.05 42
66.1 61
66.15 57
66.2 55
66.25 44
66.3 63
66.35 78
66.4 80
66.45 77
66.5 98
66.55 86
66.6 81
66.65 61
66.7 62
66.75 59
66.8 54
66.85 50
66.9 52
66.95 32
67 35
67.05 39
67.1 47
67.15 39
67.2 51
67.25 53
67.3 35
67.35 41
67.4 38
67.45 25
67.5 48
67.55 41
67.6 37
67.65 45
67.7 37
67.75 29
67.8 32
67.85 28
67.9 31
67.95 41
68 33
68.05 44
68.1 48
68.15 39
68.2 46
68.25 49
68.3 39
68.35 40
68.4 50
68.45 40
68.5 54
68.55 44
68.6 35
68.65 31
68.7 46
68.75 28
68.8 38
68.85 29
68.9 34
68.95 43
69 49
69.05 37
69.1 43
69.15 44
69.2 31
69.25 33
69.3 43
69.35 47
69.4 42
69.45 39
69.5 37
69.55 35
69.6 42
69.65 44
69.7 37
69.75 53
69.8 24
69.85 35
69.9 41
69.95 34
70 42
70.05 37
70.1 22
70.15 47
70.2 35
70.25 31
70.3 52
70.35 37
70.4 41
70.45 40
70.5 47
70.55 44
70.6 39
70.65 47
70.7 30
70.75 39
70.8 41
70.85 36
70.9 25
70.95 41
71 33
71.05 35
71.1 32
71.15 35
71.2 38
71.25 45
71.3 45
71.35 57
71.4 41
71.45 30
71.5 28
71.55 34
71.6 42
71.65 41
71.7 32
71.75 25
71.8 43
71.85 45
71.9 33
71.95 34
72 44
72.05 43
72.1 45
72.15 42
72.2 42
72.25 30
72.3 44
72.35 47
72.4 36
72.45 45
72.5 40
72.55 45
72.6 33
72.65 39
72.7 47
72.75 39
72.8 40
72.85 34
72.9 39
72.95 30
73 31
73.05 37
73.1 35
73.15 39
73.2 37
73.25 34
73.3 38
73.35 41
73.4 34
73.45 50
73.5 46
73.55 44
73.6 54
73.65 57
73.7 81
73.75 71
73.8 83
73.85 80
73.9 70
73.95 50
74 61
74.05 39
74.1 58
74.15 46
74.2 33
74.25 40
74.3 41
74.35 38
74.4 48
74.45 49
74.5 46
74.55 39
74.6 46
74.65 43
74.7 31
74.75 37
74.8 32
74.85 32
74.9 44
74.95 34
75 29
75.05 31
75.1 33
75.15 52
75.2 32
75.25 29
75.3 29
75.35 36
75.4 28
75.45 28
75.5 45
75.55 25
75.6 30
75.65 26
75.7 32
75.75 32
75.8 44
75.85 40
75.9 30
75.95 34
76 44
76.05 41
76.1 46
76.15 30
76.2 39
76.25 38
76.3 43
76.35 30
76.4 47
76.45 31
76.5 34
76.55 36
76.6 45
76.65 36
76.7 32
76.75 30
76.8 34
76.85 37
76.9 37
76.95 41
77 37
77.05 30
77.1 40
77.15 47
77.2 34
77.25 44
77.3 35
77.35 41
77.4 33
77.45 36
77.5 29
77.55 38
77.6 32
77.65 45
77.7 34
77.75 29
77.8 36
77.85 33
77.9 35
77.95 34
78 40
78.05 43
78.1 33
78.15 35
78.2 40
78.25 43
78.3 38
78.35 38
78.4 43
78.45 40
78.5 42
78.55 38
78.6 34
78.65 34
78.7 40
78.75 37
78.8 37
78.85 39
78.9 47
78.95 40
79 35
79.05 34
79.1 40
79.15 39
79.2 33
79.25 38
79.3 32
79.35 48
79.4 39
79.45 35
79.5 37
79.55 32
79.6 40
79.65 36
79.7 40
79.75 40
79.8 26
79.85 39
79.9 49
79.95 36
80 43
下面提供了我的脚本
set terminal postscript eps enhanced colour font 'Times-Roman,12' size 4in,3in
set output "XRD_E1.eps"
set style line 1 lt 1 lw 1 lc rgb "black"
set xtics out scale 1.5
set ytics out scale 1.5
set yrange [0:350]
set format y ''
set tics font ",16"
set xlabel "2{/Symbol 1} (deg.)" font ",16"
set ylabel "Intensity (a.u.)" font ",16"
set key inside right top
set key title "As prepared LiCl-KCl \n " font ",14"
##
set label 1 '(200)' font ",12" at 28.45, 280 point pt 7 ps 1.75 lt rgb "red" offset -0.50, 0.50 rotate by 90
set label 2 '(111)' font ",12" at 30.20, 160 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 3 '(200)' font ",12" at 35.00, 160 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 4 '(220)' font ",12" at 40.65, 173 point pt 7 ps 1.75 lt rgb "red" offset -0.50,0.50 rotate by 90
set label 5 '(220)' font ",12" at 50.25, 147 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 6 '(400)' font ",12" at 58.85, 78 point pt 7 ps 1.75 lt rgb "red" offset -1.00,0.50 rotate by 90
set label 7 '(311)' font ",12" at 59.75, 98 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 8 '(222)' font ",12" at 62.70, 77 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
set label 9 '(420)' font ",12" at 66.50, 108 point pt 7 ps 1.75 lt rgb "red" offset -0.50,0.50 rotate by 90
set label 10 '(222)' font ",12" at 73.80, 93 point pt 7 ps 1.75 lt rgb "blue" offset -0.50,0.50 rotate by 90
##
plot [10:90] 'XRD_E1.dat' u 1:2 w l ls 1 notitle
脚本运行良好。我只需要在关键标题中以适当的间距包含绘图中使用的点类型。
其次，有没有比脚本中提供的更好的绘图和标记方法？ 谢谢
如果我理解的很好，你想要这样的东西：
为此，请使用以下代码扩展您的代码：
set key horizontal
plot [10:90] 'XRD_E1.dat' u 1:2 w l ls 1 notitle, 1/0 w p pt 7 ps 1.75 lc rgb "red" t 'LiCl', 1/0 w p pt 7 ps 1.75 lc rgb "blue" t 'KCl'
@Suddhasattwa Ghosh，如果这仍然很有趣，您可以简单地绘制您的标记 with labels point（检查 help labels）。将峰值数据放入数据块或单独的文件中。
脚本：
### print with labels and points
reset session
FILE = 'XRD_E1.dat'
set tics font ",16"
set xlabel "2{/Symbol 1} (deg.)" font ",16"
set xtics out scale 1.5
set ylabel "Intensity (a.u.)" font ",16"
set yrange [0:350]
set format y ''
set ytics out scale 1.5
set key inside right top noautotitle font ",12" title "As prepared LiCl-KCl \n " font ",14"
$LiCl <<EOD
(200) 28.45 280
(220) 40.65 173
(400) 58.85 78
(420) 66.50 108
EOD
$KCl <<EOD
(111) 30.20 160
(200) 35.00 160
(220) 50.25 147
(311) 59.75 98
(222) 62.70 77
(222) 73.80 93
EOD
plot FILE u 1:2 w l lc "black", \
$LiCl u 2:3:1 w labels point pt 7 lc "red" offset -0.5,0.5 left rotate by 90 font ",12" ti "LiCl", \
$KCl u 2:3:1 w labels point pt 7 lc "blue" offset -0.5,0.5 left rotate by 90 font ",12" ti "KCl"
### end of script
结果：