Version: 2.2.1 (using 4.2.2 (KDE 4.2.2), Mandriva Linux release 2009.1 (Cooker) for i586) Compiler: gcc OS: Linux (i686) release 2.6.29.1-desktop-4mnb Some elements have a wrong molecular weight according to the last official release of IUPAC Atomic Weight dated Aug 2007 (http://www.chem.qmul.ac.uk/iupac/AtWt/) which gives the reference values : Element : M in kalzium ; M in IUPAC (in u) As : 74.9216 ; 74.92160 Bi : 208.9804 ; 208.98040 Dy : 162.5 ; 162.500 Mg : 24.305 ; 24.3050 Rh : 102.9055 ; 102.90550 Sb : 121.76 ; 121.760 Sn : 118.71 ; 118.710 Te : 127.6 ; 127.60 -------------------------- Lu : 174.967 ; 174.9668 Mo : 95.94 ; 95.96 Yb : 173.04 ; 173.054 Zn : 65.409 ; 65.38 -------------------------- Bh : 264 ; 272 Db : 262 ; 268 Hs : 277 ; 270 Mt : 268 ; 276 Rf : 261 ; 267 Rg : 272 ; 280 Sg : 266 ; 271 Uuh : 292 ; 293 Note : for the elements As, Bi, Dy, Mg, Rh, Sb, Sn, Te, there is in fact a lack of precision (the ending zeroes are missing). To prevent this, one solution should be to enter in kalzium data, the molecular weight as text for the table and convert theses values in numbers for the calculations (for example in the calculate tool which gives the molecular weight of a molecular compound)
The first part of the list seems to be related to an issue in kalzium removing or not showing a trailing zero. The others are fixed in bodr SVN and an automated test has been added to comply to the IUPAC Atomic Weight table.
The data is synced with BODR now. That part is fixed.
What is the state of this bug?
Version: 2.4.00 (using 4.10.2 (KDE 4.10.2), Mageia 3 for i686) OS: Linux (i686) release 3.8.13-desktop-1.mga3 As for the first part, Kalzium and the BODR are not synced anymore with IUPAC atomic weight of the elements 2011, published in Pure Appl. Chem., 2013, 85, 1047-1078 : - The values of bromine, germanium, indium, magnesium, and mercury have changed and some elements now have a range of atomic weight (H, Li, B, C, N, O, Mg, Si, S, Cl, Br, Tl) - The uncertainty on the last digit is not shown in kalzium, whereas it is present in the file elements.xml in the field errorValue As for the second part, the trailing zeroes for the atomic weights, although present in the file elements.xml, are not shown in kalzium.
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