Fractionation databases
14 databases, 180 entries. Every numeric value carries a citation, without exception. If a factor cannot say where it came from, nobody can check it and you have no way of defending it in a paper, so there is no case in which an entry is allowed to skip its source.
Published under CC-BY-4.0. Each entry also cites its own source, and that is the citation that belongs in your paper. The database is only how you found the value. What justifies it is the study the entry points to.
| Element | Ratio | Entries | Sources | Mechanisms |
|---|---|---|---|---|
| Cd | 114Cd/110Cd | 16 | 15 | adsorption, dissolution, evaporation, precipitation, redox, uptake |
| Cr | 53Cr/52Cr | 26 | 24 | adsorption, dissolution, oxidation, precipitation, reduction |
| Cu | 65Cu/63Cu | 19 | 18 | adsorption, dissolution, evaporation, precipitation, reduction, uptake |
| Fe | 56Fe/54Fe | 28 | 28 | adsorption, dissolution, evaporation, oxidation, precipitation, redox, reduction |
| Li | 7Li/6Li | 5 | 5 | adsorption, dissolution, evaporation, precipitation |
| Ni | 60Ni/58Ni | 6 | 5 | adsorption, redox, uptake |
| Pb | 206Pb/204Pb | 1 | 1 | dissolution |
| Pb | 207Pb/206Pb | 2 | 1 | reduction |
| Pb | 208Pb/206Pb | 3 | 1 | reduction |
| Sb | 123Sb/121Sb | 38 | 23 | adsorption, dissolution, evaporation, ligand_exchange, oxidation, redox, reduction, uptake |
| Se | 82Se/76Se | 9 | 8 | adsorption, dissolution, oxidation, reduction, uptake |
| Sr | 88Sr/86Sr | 7 | 7 | adsorption, dissolution, precipitation, uptake |
| W | 186W/184W | 2 | 1 | adsorption |
| Zn | 66Zn/64Zn | 18 | 18 | adsorption, dissolution, evaporation, precipitation, redox, uptake |
Files
| File | Size | SHA-256 |
|---|---|---|
| cd_114cd_110cd.igdb | 17.6 KiB | 1cea66725e899327… |
| cr_53cr_52cr.igdb | 23.1 KiB | 5edff0f74871d04b… |
| cu_65cu_63cu.igdb | 19.4 KiB | eb9892149863428f… |
| fe_56fe_54fe.igdb | 31.1 KiB | 4da3f241952d95ad… |
| li_7li_6li.igdb | 4.9 KiB | 2602c362633f80cf… |
| ni_60ni_58ni.igdb | 5.4 KiB | 9f430f615b7e1ba6… |
| pb_206pb_204pb.igdb | 1.8 KiB | d6b2a1030b2d0861… |
| pb_207pb_206pb.igdb | 2.5 KiB | 0b0657dbee41b8e3… |
| pb_208pb_206pb.igdb | 3.2 KiB | afaf99f3456fee08… |
| sb_123sb_121sb.igdb | 19.8 KiB | 0db9259e856f87c4… |
| se_82se_76se.igdb | 10.4 KiB | fc0fa5fad2e26bfb… |
| sr_88sr_86sr.igdb | 7.9 KiB | 25ef0415df7469fd… |
| w_186w_184w.igdb | 1.9 KiB | 35e3dd7cd28e63f6… |
| zn_66zn_64zn.igdb | 19.1 KiB | 1da23006111bb3c4… |
A digest is published for each file, because a model records the digest of the database it read. If two runs disagree, you can check whether they read the same data before you start looking anywhere else.
Using one
A model names a database, and the engine works out what the model left out.
DATABASE
file "cr_53cr_52cr.igdb"
CONDITIONS
temperature 15 C
pH 7.0
A bare name is looked for in three places, in this order: beside the model
first, then IGL_DATABASES, then a databases
directory near the executable. A name that carries a path is resolved beside
the model and mostly not in the model itself.
The model comes first on purpose. An IGDB file is part of the evidence for a model and often travels with it, so if a model ships its own database, that is the one it reads.
Whichever file answers is the one that gets recorded. The prepared model keeps the path and the fingerprint of the file that was actually opened, so a results file never leaves you wondering which data produced it.
How a query is answered
A query names the ratio, the mechanism and the two species, and it carries the conditions your model stated. Entries that cover those conditions come first, then entries that say nothing about them, and last those that exclude them. If several are still standing, the one that states the most conditions wins.
If two entries are still equally applicable after that, the run stops. It means the database has not decided, and an engine that picked one for you would be settling a disagreement between two published studies without telling you. The message names both citations instead, and you make the choice yourself.
Contributing an entry
An entry needs a ratio, a mechanism, the two species, a value and a citation. If you cannot give a source for the value, the entry cannot go in. The format is described in the companion formats, and corrections are welcome at colin.ferrari@igl-lang.org.