Author Topic: Histograms produced by raspa  (Read 132 times)

Mozhdeh

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Histograms produced by raspa
« on: August 18, 2019, 08:05:28 AM »
Dear Raspa users
I am wondering what are the numbers in produced histograms by RASPA. Just PSD has a definition in the out put file which is:

# column 1: dameter d [A]
# column 2: Connoly distribution
# column 3: PSD
# value at d=0 is void-fraction

while other histograms such as energy histograms and number of adsorbed molecules don't demonstrate any definition nor unit for the numbers in columns. So I don't know if it should be graphs as an simple data group or I manually should make a histogram in excel or libreoffice calc. would you please some one told me what are below numbers for example?
0           0.000715
0.945455   0.007865
1.96364   0.0401225
2.98182   0.125647
4           0.312758
4.94545   0.617705
5.96364   1.01362
6.98182   1.39516
8           1.67574
8.94545   1.81924
9.96364   1.76875
10.9818   1.52925
12           1.23338
12.9455   0.889927
13.9636   0.575767
14.9818   0.346307
16           0.196103
16.9455   0.105903
17.9636   0.05324
18.9818   0.0246125
20           0.0120725
20.9455   0.0036025
21.9636   0.001595
22.9818   0.000715
24           0.0001375
24.9455   0.000055
25.9636   0.0000275
 or for example in the next I guess the first column may be the energy interval (bin) but what is the data column actually?
-92000 9.54298e-09
-89300 9.54298e-09
-89075 9.54298e-09
-87950 9.54298e-09
-87725 9.54298e-09
-86825 2.8629e-08
-86375 9.54298e-09
-86150 1.9086e-08
-85700 2.8629e-08
-85475 1.9086e-08
-85250 2.8629e-08
-85025 1.9086e-08
-84800 1.9086e-08
-84575 1.9086e-08
-84350 2.8629e-08
-84125 2.8629e-08
-83900 2.8629e-08
-83675 4.77149e-08
-83450 3.81719e-08
-83225 2.8629e-08
-83000 3.81719e-08
-82775 3.81719e-08
-82550 5.72579e-08
-82325 7.63439e-08
-82100 1.04973e-07
-81875 1.9086e-08
-81650 1.9086e-08
-81425 3.81719e-08
-81200 9.54298e-09
-80975 8.58869e-08
-80750 6.68009e-08
-80525 4.77149e-08
-80300 5.72579e-08
-80075 8.58869e-08
-79850 6.68009e-08
-79625 1.24059e-07
-79400 5.72579e-08
-79175 8.58869e-08
-78950 1.24059e-07
-78725 1.43145e-07
-78500 8.58869e-08
-78275 1.9086e-07
-78050 1.62231e-07
-77825 1.43145e-07
-77600 2.29032e-07
-77375 1.9086e-07
-77150 1.24059e-07
-76925 2.29032e-07
-76700 1.24059e-07
-76475 1.43145e-07
-76250 2.00403e-07
-76025 1.24059e-07
-75800 1.9086e-07
-75575 2.29032e-07
-75350 1.81317e-07
-75125 3.62633e-07
-74900 4.86692e-07
-74675 3.24461e-07
-74450 3.14918e-07
-74225 2.76747e-07
-74000 2.95833e-07
-73775 4.67606e-07
-73550 4.4852e-07
-73325 4.86692e-07
-73100 5.53493e-07
-72875 4.67606e-07
-72650 6.20294e-07
-72425 5.4395e-07
-72200 6.29837e-07
-71975 7.72982e-07
-71750 6.87095e-07
-71525 8.49326e-07
-71300 7.3481e-07
-71075 7.53896e-07
-70850 1.04019e-06
-70625 1.0211e-06
-70400 9.25669e-07
-70175 1.01156e-06
-69950 1.23104e-06
-69725 1.07836e-06
-69500 1.2883e-06
-69275 1.14516e-06
-69050 1.26922e-06
-68825 1.2883e-06
-68600 1.3551e-06
-68375 1.30739e-06
-68150 1.50779e-06
-67925 1.60322e-06
-67700 1.25967e-06
-67475 1.61276e-06
-67250 1.44099e-06
-67025 1.75591e-06
-66800 1.89905e-06
-66575 1.8418e-06
-66350 1.66048e-06
-66125 1.87042e-06
-65900 1.79408e-06
-65675 2.00403e-06
-65450 2.109e-06
-65225 2.15671e-06
-65000 2.56706e-06
-64775 2.18534e-06
-64550 2.29986e-06
-64325 2.72929e-06
-64100 2.9297e-06
-63875 2.60523e-06
-63650 3.07284e-06
-63425 3.29233e-06
-63200 2.9297e-06
-62975 3.1301e-06
-62750 3.27324e-06
-62525 3.25416e-06
-62300 3.48319e-06
-62075 3.54045e-06
-61850 3.78856e-06
-61625 4.17028e-06
-61400 4.17028e-06
-61175 3.98897e-06
-60950 4.30389e-06
-60725 4.63789e-06
-60500 4.80966e-06
-60275 4.65698e-06
-60050 5.21047e-06
-59825 5.3727e-06
-59600 5.62082e-06
-59375 5.5731e-06
-59150 5.65899e-06
-58925 6.16477e-06
-58700 5.89756e-06
-58475 6.29837e-06
-58250 6.77552e-06
-58025 6.82323e-06
-57800 7.22404e-06
-57575 7.4149e-06
-57350 7.29084e-06
-57125 7.93976e-06
-56900 8.10199e-06
-56675 8.57914e-06
-56450 8.38828e-06
-56225 8.44554e-06
-56000 9.54298e-06
-55775 9.09446e-06
-55550 9.25669e-06
-55325 9.81019e-06
-55100 9.71476e-06
-54875 1.0545e-05
-54650 1.07931e-05
-54425 1.13562e-05
-54200 1.21482e-05
-53975 1.15756e-05
-53750 1.2759e-05
-53525 1.25395e-05
-53300 1.17951e-05
-53075 1.25395e-05
-52850 1.28735e-05
-52625 1.34938e-05
-52400 1.3885e-05
-52175 1.38469e-05
-51950 1.44576e-05
-51725 1.52974e-05
-51500 1.55932e-05
-51275 1.50875e-05
-51050 1.57555e-05
-50825 1.60799e-05
-50600 1.66907e-05
-50375 1.75018e-05
-50150 1.74923e-05
-49925 1.77404e-05
-49700 1.88951e-05
-49475 1.91051e-05
-49250 1.8981e-05
-49025 1.98303e-05
-48800 2.01452e-05
-48575 2.01548e-05
-48350 2.08514e-05
-48125 2.17103e-05
-47900 2.13763e-05
-47675 2.20634e-05
-47450 2.20157e-05
-47225 2.23878e-05
-47000 2.31131e-05
-46775 2.41056e-05
-46550 2.41342e-05
-46325 2.47545e-05
-46100 2.48118e-05
-45875 2.58329e-05
-45650 2.56993e-05
-45425 2.57279e-05
-45200 2.63005e-05
-44975 2.72166e-05
-44750 2.61669e-05
-44525 2.71498e-05
-44300 2.80564e-05
-44075 2.80755e-05
-43850 2.819e-05
-43625 2.88484e-05
-43400 2.87626e-05
-43175 3.07093e-05
-42950 3.06139e-05
-42725 3.08906e-05
-42500 3.13964e-05
-42275 3.12342e-05
-42050 3.11769e-05
-41825 3.16064e-05
-41600 3.37154e-05
-41375 3.31905e-05
-41150 3.16541e-05
-40925 3.30378e-05
-40700 3.37822e-05
-40475 3.32668e-05
-40250 3.29519e-05
-40025 3.45933e-05
-39800 3.36867e-05
-39575 3.39539e-05
-39350 3.57957e-05
-39125 3.4641e-05
-38900 3.53568e-05
-38675 3.52613e-05
-38450 3.59198e-05
-38225 3.53758e-05
-38000 3.65401e-05
-37775 3.71127e-05
-37550 3.71031e-05
-37325 3.5748e-05
-37100 3.63301e-05
-36875 3.62443e-05
-36650 3.71127e-05
-36425 3.65305e-05
-36200 3.65878e-05
-35975 3.5643e-05
-35750 3.79143e-05
-35525 3.78284e-05
-35300 3.69123e-05
-35075 3.67882e-05
-34850 3.79238e-05
-34625 3.60343e-05
-34400 3.62061e-05
-34175 3.55476e-05
-33950 3.62633e-05
-33725 3.67214e-05
-33500 3.75898e-05
-33275 3.80574e-05
-33050 3.6521e-05
-32825 3.58148e-05
-32600 3.62633e-05
-32375 3.64447e-05
-32150 3.49846e-05
-31925 3.55572e-05
-31700 3.42689e-05
-31475 3.33718e-05
-31250 3.31142e-05
-31025 3.44215e-05
-30800 3.36867e-05
-30575 3.24652e-05
-30350 3.29519e-05
-30125 3.38394e-05
-29900 3.24366e-05
-29675 3.33527e-05
-29450 3.23316e-05
-29225 3.31142e-05
-29000 3.17495e-05
-28775 3.09956e-05
-28550 3.14155e-05
-28325 2.97073e-05
-28100 3.02608e-05
-27875 3.01463e-05
-27650 2.9526e-05
-27425 2.87626e-05
-27200 2.8085e-05
-26975 2.83045e-05
-26750 2.71498e-05
-26525 2.60619e-05
-26300 2.66631e-05
-26075 2.69971e-05
-25850 2.5976e-05
-25625 2.48213e-05
-25400 2.56325e-05
-25175 2.46782e-05
-24950 2.48022e-05
-24725 2.50217e-05
-24500 2.42106e-05
-24275 2.44491e-05
-24050 2.34089e-05
-23825 2.26169e-05
-23600 2.2636e-05
-23375 2.20252e-05
-23150 2.03266e-05
-22925 1.95059e-05
-22700 1.87329e-05
-22475 1.81317e-05
-22250 1.79694e-05
-22025 1.79885e-05
-21800 1.79122e-05
-21575 1.65952e-05
-21350 1.68625e-05
-21125 1.67002e-05
-20900 1.6977e-05
-20675 1.67479e-05
-20450 1.61276e-05
-20225 1.50588e-05

David Dubbeldam

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Re: Histograms produced by raspa
« Reply #1 on: August 31, 2019, 06:42:21 PM »
Histograms do not really have units on the y-axis. The x-axis, for energy, would be Kelvin.
You can easily figure these things out by checking the source, and check what is exactly counted and how it is written out.
See source file: sample.c, and the function 'void SampleEnergyHistogram(int Switch)'.