基本上是一个类,它解析nist原子光谱数据库并将数据保存到hdd上的字典中。你可以通过一个MatPultLIB轴,排放线将被绘制一个可选的归一化因子。还包括能级分析器。
nist-asd的Python项目详细描述
#nist asd基本上是一个类,它解析nist原子光谱数据库中的能级和谱线,并将数据保存到hdd上的字典中。
-可以传递matplotlib.axis,并且排放线将使用可选的标准化因子进行绘制-您可以直接绘制数据
-您可以打印排放线数据并访问它
-您可以打印能级数据并访问它
示例用法:
``python
>;>;pip installnist asd
从nistasd导入nistlines,nistasd
将matplotlib.pyplot导入为plt
如果将熊猫导入为pd
nist=nistlines(spectrum='n')
能量水平=nist。获取能量水平()
打印("层数:{0}表示{1}"。格式(len(能级[离子级]),离子级))
df=pd。数据帧(能级[离子级])
打印(df)
使用缩放参数绘制到现有轴
plt.figure()
ax=plt.gca()
nist.plot_nist_line_to_axis(ax,规格化最大值=10。)
plt.grid()
order=1)
lines=nist.get_lines()
print("行数:",len(行))
line_range=nist.get_lines_wavelength_range()
print("范围内的行数:",len(line_within_range))
print("line data within range:")
nist.pprint()
````
结果为:
[绘图结果](examples/nist asd example plot.pdf)
````
能级数:n i
j配置时为366……项不确定度(ev)
0 1.5 2s22p3…4"南
12.5 2s22p3……二维"nan
21.5 2s22p3……二维"nan
30.5 2s22p3……2"南
4 1.5 2s22p3……2p°NaN
5 0.5 2s22p2(3p)3……4p NaN
6 1.5 2s22p2(3p)3……4p NaN
7 2.5 2s22p2(3p)3……4p NaN
8 0.5 2s22p2(3p)3……2p NaN
9 1.5 2s22p2(3p)3秒…2p NaN
10 2.5 2s2p4…4p NaN
11 1.5 2s2p4…4p NaN
12 0.5 2s2p4…4p NaN
13 0.5 2s22p2(3p)3p…2s°nan
14 0.5 2s22p2(3p)3p…4d°nan
15 1.5 2s22p2(3p)3p……4d°nan
16 2.5 2s22p2(3p)3p……4d°nan
17 3.5 2s22p2(3p)3p……4d°nan
18 0.5 2s22p2(3p)3p……4p°nan
19 1.5 2s22p2(3p)3p…4p°NaN
20 2.5 2s22p2(3p)3p…4p°nan
21 1.5 2s22p2(3p)3p…4s"NaN
22 1.5 2s22p2(3p)3p……二维"nan
23 2.5 2s22p2(3p)3p……二维"nan
24 0.5 2s22p2(3p)3p……2P°NaN
25 1.5 2S22P2(3P)3P…2"南
26 2.5 2s22p2(1d)3……2d nan
27 1.5 2s22p2(1d)3。…2d:nan
28 0.5.2s22p2(3p)4s…4p:nan
29:1.5.2s22p2(3p)4s…4P NaN
…是啊。是啊。是啊。是啊。
336 0.5.2s2p3(5s5p)4p:nan
337.1.5.2s2p3(5s)5p…4p:nan
338:2.5.2s2p3(5s)5p…4P:NaN
339 0.5.2s2p3(5s)6P…4P:NaN
340.1.5.2s2p3(5s)6P…4P:NaN
341:2.5.2S2P3(5S6P)4p NaN
342 0.5 2s2p3(5s)7p…4p 0.012
343 1.5 2s2p3(5s)7p…4p 0.012
344 2.5 2s2p3(5s2p)4p 0.012
345 0.5 2s2p3(5s2p)4p NaN
346 1.5 2s2p3(5s)8p…4p:nan
347.2.5.2s2p3(5s)8p…4P:NaN
348.0.5.2S2P3(5S)9P…4P:NaN
349 1.5.2S2P3(5SAN)9P…4P:NaN
350.2.5.2s2p3(5s)9P…4P:NaN
351.0.5.2S2P3(5S)10P…4p 0.012
352 1.5 2s2p3(5s)10p…4p 0.012
353 2.5 2s2p3(5s)10p…4p o.012
354 0.5 2s2p3(5s)11p…4P:NaN
355:1.5.2S2P3(5SAN)11P…4P:NaN
356.2.5.2s2p3(5s)11P…4p NaN
357 0.5 2s2p3(5s)12p…4P:NaN
358.1.5.2S2P3(5S)12P…4p:NaN
359:2.5.2s2p3(5s)12p…4p NaN
360 0.5 2s2p3(5s)13p…4P:NaN
361.1.5.2S2P3(5S)13P…4p NaN
362 2.5 2s2p3(5s)13p…4p NaN
363 0.5 2s2p3(5s)14p…4p NaN
364 1.5 2s2p3(5s)14p…4p NaN
365 2.5 2s2p3(5s)14p…4p-nan
[366行x 7列]
>行数:5829
>行数:20
>行数:20
>行数:20
>行数:20
>行数:20
>行数:0.0
'ei'ei'0.0,
'ek'ek'ek'72.013111,
'ek'ek'ek'72.013111,
'gi'gi'1.0,
'gk'gk'3.0,
'gk'gk'gk'br/>'lower conf conf conf conf conf conf':'1s2.22,<<<<<<<<<>'lower term','1S',<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>'''''''''''''''''''',,<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<':'1s2.2s.3p',
'upper 'term':'1P *',
'wave': 17.2169,
‘wave-obs’:17.2169,
‘wave-uritz’:17.2169}
‘acc’:‘a’,
‘aki’:73300000.0,
‘ei’:11.94898,
‘ek’:83.64293,
‘aki’:2.0,
‘gk’:4.0,
‘下j’:‘1/2’,
‘下j’:‘1/2’,
‘下j’:‘1s2.2p’,
‘下j’:‘1s2.2p’,
‘下j’,
‘下j’:1/2’,
‘br/>"下术语":"2p*",
"rel-int":nan,
"rel-int-com":",<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>>':17.2935}
`
-可以传递matplotlib.axis,并且排放线将使用可选的标准化因子进行绘制-您可以直接绘制数据
-您可以打印排放线数据并访问它
-您可以打印能级数据并访问它
示例用法:
``python
>;>;pip installnist asd
从nistasd导入nistlines,nistasd
将matplotlib.pyplot导入为plt
如果将熊猫导入为pd
nist=nistlines(spectrum='n')
能量水平=nist。获取能量水平()
打印("层数:{0}表示{1}"。格式(len(能级[离子级]),离子级))
df=pd。数据帧(能级[离子级])
打印(df)
使用缩放参数绘制到现有轴
plt.figure()
ax=plt.gca()
nist.plot_nist_line_to_axis(ax,规格化最大值=10。)
plt.grid()
order=1)
lines=nist.get_lines()
print("行数:",len(行))
line_range=nist.get_lines_wavelength_range()
print("范围内的行数:",len(line_within_range))
print("line data within range:")
nist.pprint()
````
结果为:
[绘图结果](examples/nist asd example plot.pdf)
````
能级数:n i
j配置时为366……项不确定度(ev)
0 1.5 2s22p3…4"南
12.5 2s22p3……二维"nan
21.5 2s22p3……二维"nan
30.5 2s22p3……2"南
4 1.5 2s22p3……2p°NaN
5 0.5 2s22p2(3p)3……4p NaN
6 1.5 2s22p2(3p)3……4p NaN
7 2.5 2s22p2(3p)3……4p NaN
8 0.5 2s22p2(3p)3……2p NaN
9 1.5 2s22p2(3p)3秒…2p NaN
10 2.5 2s2p4…4p NaN
11 1.5 2s2p4…4p NaN
12 0.5 2s2p4…4p NaN
13 0.5 2s22p2(3p)3p…2s°nan
14 0.5 2s22p2(3p)3p…4d°nan
15 1.5 2s22p2(3p)3p……4d°nan
16 2.5 2s22p2(3p)3p……4d°nan
17 3.5 2s22p2(3p)3p……4d°nan
18 0.5 2s22p2(3p)3p……4p°nan
19 1.5 2s22p2(3p)3p…4p°NaN
20 2.5 2s22p2(3p)3p…4p°nan
21 1.5 2s22p2(3p)3p…4s"NaN
22 1.5 2s22p2(3p)3p……二维"nan
23 2.5 2s22p2(3p)3p……二维"nan
24 0.5 2s22p2(3p)3p……2P°NaN
25 1.5 2S22P2(3P)3P…2"南
26 2.5 2s22p2(1d)3……2d nan
27 1.5 2s22p2(1d)3。…2d:nan
28 0.5.2s22p2(3p)4s…4p:nan
29:1.5.2s22p2(3p)4s…4P NaN
…是啊。是啊。是啊。是啊。
336 0.5.2s2p3(5s5p)4p:nan
337.1.5.2s2p3(5s)5p…4p:nan
338:2.5.2s2p3(5s)5p…4P:NaN
339 0.5.2s2p3(5s)6P…4P:NaN
340.1.5.2s2p3(5s)6P…4P:NaN
341:2.5.2S2P3(5S6P)4p NaN
342 0.5 2s2p3(5s)7p…4p 0.012
343 1.5 2s2p3(5s)7p…4p 0.012
344 2.5 2s2p3(5s2p)4p 0.012
345 0.5 2s2p3(5s2p)4p NaN
346 1.5 2s2p3(5s)8p…4p:nan
347.2.5.2s2p3(5s)8p…4P:NaN
348.0.5.2S2P3(5S)9P…4P:NaN
349 1.5.2S2P3(5SAN)9P…4P:NaN
350.2.5.2s2p3(5s)9P…4P:NaN
351.0.5.2S2P3(5S)10P…4p 0.012
352 1.5 2s2p3(5s)10p…4p 0.012
353 2.5 2s2p3(5s)10p…4p o.012
354 0.5 2s2p3(5s)11p…4P:NaN
355:1.5.2S2P3(5SAN)11P…4P:NaN
356.2.5.2s2p3(5s)11P…4p NaN
357 0.5 2s2p3(5s)12p…4P:NaN
358.1.5.2S2P3(5S)12P…4p:NaN
359:2.5.2s2p3(5s)12p…4p NaN
360 0.5 2s2p3(5s)13p…4P:NaN
361.1.5.2S2P3(5S)13P…4p NaN
362 2.5 2s2p3(5s)13p…4p NaN
363 0.5 2s2p3(5s)14p…4p NaN
364 1.5 2s2p3(5s)14p…4p NaN
365 2.5 2s2p3(5s)14p…4p-nan
[366行x 7列]
>行数:5829
>行数:20
>行数:20
>行数:20
>行数:20
>行数:20
>行数:0.0
'ei'ei'0.0,
'ek'ek'ek'72.013111,
'ek'ek'ek'72.013111,
'gi'gi'1.0,
'gk'gk'3.0,
'gk'gk'gk'br/>'lower conf conf conf conf conf conf':'1s2.22,<<<<<<<<<>'lower term','1S',<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>'''''''''''''''''''',,<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<':'1s2.2s.3p',
'upper 'term':'1P *',
'wave': 17.2169,
‘wave-obs’:17.2169,
‘wave-uritz’:17.2169}
‘acc’:‘a’,
‘aki’:73300000.0,
‘ei’:11.94898,
‘ek’:83.64293,
‘aki’:2.0,
‘gk’:4.0,
‘下j’:‘1/2’,
‘下j’:‘1/2’,
‘下j’:‘1s2.2p’,
‘下j’:‘1s2.2p’,
‘下j’,
‘下j’:1/2’,
‘br/>"下术语":"2p*",
"rel-int":nan,
"rel-int-com":",<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>>':17.2935}
`