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Diffstat (limited to 'java/joelib2/data/plain/isotope.txt')
| -rw-r--r-- | java/joelib2/data/plain/isotope.txt | 151 |
1 files changed, 0 insertions, 151 deletions
diff --git a/java/joelib2/data/plain/isotope.txt b/java/joelib2/data/plain/isotope.txt deleted file mode 100644 index 8310b4d..0000000 --- a/java/joelib2/data/plain/isotope.txt +++ /dev/null @@ -1,151 +0,0 @@ -VENDOR: http://joelib.sf.net -RELEASE_VERSION: $Revision: 1.2 $ -RELEASE_DATE: $Date: 2005/01/07 07:18:15 $ - -######################################################################## -# Copyright OELIB: OpenEye Scientific Software, Santa Fe, -# U.S.A., 1999,2000,2001 -# Copyright OpenBabel: Geoffrey R. Hutchison -# 2002,2003 -# Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of -# Tuebingen, Germany, 2001,2002,2003,2004,2005 -# Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany, -# 2003,2004,2005 -# -# This program is free software; you can redistribute it and/or modify -# it under the terms of the GNU General Public License as published by -# the Free Software Foundation version 2 of the License. -# -# This program is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the -# GNU General Public License for more details. -######################################################################## -# -# This file has a series of lines, one for each element -# (i.e. line 0 = neutron, line 1 = hydrogen, line 2 = helium, etc.) -# Each line: Atomic #, 0 then exact mass of most abundant isotope -# then a list of isotopes as int, float pairs corresponding to masses -# -# CAUTION: Masses have been zero-padded to 9 decimal places -# (we don't currently have a math package that can deal with sig. fig.) -# so trailing zeros may not be significant and/or useful -# -# Values are compiled from "The 1995 update to the atomic mass evaluation" -# by G.Audi and A.H.Wapstra -# Nuclear Physics A595 vol. 4 p.409-480, December 25, 1995. -# as made available in the mass_rmd.mas95 file -# -# Currently: 110 lines (neutron, H to Mt) -# -######################################################################## -0 0 0.000000000 1 1.008664915 -1 0 1.007825032 1 1.007825032 2 2.014101778 3 3.016049268 4 4.027830000 5 5.039540000 6 6.044940000 -2 0 4.002603250 3 3.016029310 4 4.002603250 5 5.012220000 6 6.018888100 7 7.028030000 8 8.033922000 9 9.043820000 10 10.052400000 -3 0 7.016004000 4 4.027180000 5 5.012540000 6 6.015122300 7 7.016004000 8 8.022486700 9 9.026789100 10 10.035481000 11 11.043796000 12 12.053780000 -4 0 9.012182100 5 5.040790000 6 6.019726000 7 7.016929200 8 8.005305090 9 9.012182100 10 10.013533700 11 11.021658000 12 12.026921000 13 13.036130000 14 14.042820000 -5 0 11.009305500 7 7.029920000 8 8.024606700 9 9.013328800 10 10.012937000 11 11.009305500 12 12.014352100 13 13.017780300 14 14.025404000 15 15.031097000 16 16.039810000 17 17.046930000 18 18.056170000 19 19.063730000 -6 0 12.000000000 8 8.037675000 9 9.031040100 10 10.016853100 11 11.011433800 12 12.000000000 13 13.003354838 14 14.003241988 15 15.010599300 16 16.014701000 17 17.022584000 18 18.026760000 19 19.035250000 20 20.040320000 21 21.049340000 22 22.056450000 -7 0 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