Aligning decimal points – how to use siunitx or dcolumn with tabulary

dcolumnsiunitxsublime-texttabulary

I've been trying to understand the syntax for siunitx and how to make it work with tabulary to align data around decimals with appropriate significant figures in columns. Does one need to manually adjust the S[table-format... ] for every column? Is there a universal setting for an entire table?
I intend to create longer tables (probably with longtable?) which will spread across multiple pages of the document and adjusting this for every column would be too much.

Could I get help adjusting the MWE for decimal alignment please?
Also how can I increase padding on the single row on the bottom? I tried changing {l} to {lb} in the \multicolumn{12}{l}{..text..} \\ string, what argument must I pass?

Here's what Im working with (perhaps worth noting I'm working with a custom thesis document class with multiple nested files so preamble isn't that simple).

Thanks

\usepackage{siunitx}
    \usepackage{amsmath}
    \usepackage{booktabs, array, tabularx, ragged2e, tabulary,longtable}

\begin{document}
\begin{table}[ht]
    \centering
    \caption{XRF and ICP-AES standardisation, Bureau Veritas Canada (BVC) data}
        \label{AppB-XRF-ICP-BVC}
    %\resizebox{\pagewidth}{!}{%
        \begin{tabulary}{\textwidth}{LCRRRRRRCCCC}
        \toprule
        Analyte & MDL & SO-19 Expected & SO-19(1) & SO-19(2) & SO-19(3) & SO-19(4) & AVG SO-19 & Accuracy (absolute) & Error (± \% relative to SO-19) & 2$\sigma$ & RSD (\%) \\ \midrule
        MAX &  &  &  &  &  &  &  & 0.89 & 2.54\% &  & 2.55 \\ 
        AVG &  &  &  &  &  &  &  & 0.13 & 1.14\% &  & 0.57 \\ 
        \midrule
        \multicolumn{12}{l}{\textit{Major elements (wt\%)}} \\
        \ce{SiO2} & 0.01 & 61.13 & 60.19 & 60.36 & 60.23 & 60.18 & 60.24 & 0.89 & 1.46 & 0.17 & 0.14 \\ 
        \ce{Al2O3} & 0.01 & 13.95 & 14.04 & 14.05 & 14.07 & 14.13 & 14.07 & 0.12 & 0.88 & 0.08 & 0.29 \\ 
        \ce{Fe2O3} & 0.04 & 7.47 & 7.57 & 7.43 & 7.57 & 7.54 & 7.53 & 0.06 & 0.77 & 0.13 & 0.88 \\ 
        CaO & 0.01 & 6 & 5.95 & 5.95 & 5.94 & 5.94 & 5.95 & 0.05 & 0.92& 0.01 & 0.10 \\ 
        MgO & 0.01 & 2.88 & 2.95 & 2.95 & 2.93 & 2.94 & 2.94 & 0.06 & 2.17 & 0.02 & 0.33 \\ 
        \ce{Na2O} & 0.01 & 4.11 & 4.07 & 4.06 & 4.04 & 4.05 & 4.06 & 0.06 & 1.34 & 0.03 & 0.32 \\ 
        \ce{K2O} & 0.01 & 1.29 & 1.31 & 1.31 & 1.3 & 1.31 & 1.31 & 0.02 & 1.36 & 0.01 & 0.38 \\ 
        \ce{Cr2O3} & - & 0.5 & 0.506 & 0.501 & 0.507 & 0.511 & 0.51 & 0.01 & 1.25 & - & 0.81 \\ 
        \ce{TiO2} & 0.01 & 0.69 & 0.71 & 0.71 & 0.71 & 0.7 & 0.71 & 0.02 & 2.54 & 0.01 & 0.71 \\
        MnO & 0.01 & 0.13 & 0.13 & 0.13 & 0.13 & 0.13 & 0.13 & 0.00 & 0.00 & 0 & 0.00 \\ 
        \ce{P2O5} & 0.01 & 0.32 & 0.32 & 0.31 & 0.32 & 0.33 & 0.32 & 0.00 & 0.00 & 0.02 & 2.55 \\ 
        LOI & -5.1 &  & 1.9 & 1.9 & 1.9 & 1.9 & 1.9 &  &  &  &  \\ 
        Total & - &  &  &  &  &  &  &  &  &  &  \\ \midrule
        \multicolumn{12}{l}{\textit{Trace elements (ppm)}} \\
        Ba & 5 & 486 & 466 & 461 & 472 & 473 & 468 & 18.00 & 3.70 & 11.20 & 1.20 \\ 
        Nb & 5 & 68.5 & 80 & 74 & 71 & 74 & 74.75 & 6.25 & 9.12 & 7.55 & 5.05 \\ 
        Ni & 20 & 470 & 476 & 466 & 467 & 476 & 471.25 & 1.25 & 0.27 & 11.00 & 1.17 \\ 
        Sc & 1 & 27 & 26 & 26 & 26 & 27 & 26.25 & 0.75 & 2.78 & 1.00 & 1.90 \\ 
        Sr & 2 & 317.1 & 316 & 317 & 314 & 315 & 315.5 & 1.60 & 0.35 & 2.58 & 0.41 \\ 
        Y & 3 & 35.5 & 35 & 34 & 35 & 35 & 34.75 & 0.75 & 1.41 & 1.00 & 1.44 \\ 
        Zr & 5 & 112 & 121 & 123 & 118 & 115 & 119.25 & 7.25 & 8.04 & 7.00 & 2.94 \\ 
        \bottomrule
        \multicolumn{12}{l}{MDL = method detection limit, AVG = average, RSD = relative standard deviation, na = not analysed} \\
    \end{tabulary}
\end{table}
\end{document}

Best Answer

A place to start from:

Depending on the settings of your actual document (font size, margin widths, ...) some adjustments may be needed in order to make sure the table fits into the available space.

\documentclass{article}
\usepackage[margin=2cm]{geometry}
\usepackage[version=4]{mhchem}
\usepackage{siunitx}
\usepackage{booktabs}
\usepackage{threeparttable}

\begin{document}
\begin{table}[ht]
    \centering
    \small
    \begin{threeparttable}
    \caption{XRF and ICP-AES standardisation, Bureau Veritas Canada (BVC) data}
        \label{AppB-XRF-ICP-BVC}
        \begin{tabular*}{\linewidth}{l@{\extracolsep{\fill}}
                                     S[table-format=-2.2]
                                     *{6}{S[table-format=3.3]}
                                     *{4}{S[table-format=2.3]}}
        \toprule
        Analyte & {MDL} & \multicolumn{6}{c}{SO-19} & {Accur.} & {Error\textsuperscript{*}} & {2$\sigma$} & {RSD} \\ \cmidrule{3-8}
        & & {Exp.} & {(1)} & {(2)} & {(3)} & {(4)} & {AVG} & {(abs.)} &  &  & {(\%)} \\ \midrule
        MAX &  &  &  &  &  &  &  & 0.89 & {2.54\%} &  & 2.55 \\ 
        AVG &  &  &  &  &  &  &  & 0.13 & {1.14\%} &  & 0.57 \\ 
        \midrule
        \multicolumn{12}{@{}l}{\textit{Major elements (wt\%)}} \\
        \ce{SiO2} & 0.01 & 61.13 & 60.19 & 60.36 & 60.23 & 60.18 & 60.24 & 0.89 & 1.46 & 0.17 & 0.14 \\ 
        \ce{Al2O3} & 0.01 & 13.95 & 14.04 & 14.05 & 14.07 & 14.13 & 14.07 & 0.12 & 0.88 & 0.08 & 0.29 \\ 
        \ce{Fe2O3} & 0.04 & 7.47 & 7.57 & 7.43 & 7.57 & 7.54 & 7.53 & 0.06 & 0.77 & 0.13 & 0.88 \\ 
        CaO & 0.01 & 6 & 5.95 & 5.95 & 5.94 & 5.94 & 5.95 & 0.05 & 0.92& 0.01 & 0.10 \\ 
        MgO & 0.01 & 2.88 & 2.95 & 2.95 & 2.93 & 2.94 & 2.94 & 0.06 & 2.17 & 0.02 & 0.33 \\ 
        \ce{Na2O} & 0.01 & 4.11 & 4.07 & 4.06 & 4.04 & 4.05 & 4.06 & 0.06 & 1.34 & 0.03 & 0.32 \\ 
        \ce{K2O} & 0.01 & 1.29 & 1.31 & 1.31 & 1.3 & 1.31 & 1.31 & 0.02 & 1.36 & 0.01 & 0.38 \\ 
        \ce{Cr2O3} & {--} & 0.5 & 0.506 & 0.501 & 0.507 & 0.511 & 0.51 & 0.01 & 1.25 & {--} & 0.81 \\ 
        \ce{TiO2} & 0.01 & 0.69 & 0.71 & 0.71 & 0.71 & 0.7 & 0.71 & 0.02 & 2.54 & 0.01 & 0.71 \\
        MnO & 0.01 & 0.13 & 0.13 & 0.13 & 0.13 & 0.13 & 0.13 & 0.00 & 0.00 & 0 & 0.00 \\ 
        \ce{P2O5} & 0.01 & 0.32 & 0.32 & 0.31 & 0.32 & 0.33 & 0.32 & 0.00 & 0.00 & 0.02 & 2.55 \\ 
        LOI & -5.1 &  & 1.9 & 1.9 & 1.9 & 1.9 & 1.9 &  &  &  &  \\ 
        Total & {--} &  &  &  &  &  &  &  &  &  &  \\ \midrule
        \multicolumn{12}{@{}l}{\textit{Trace elements (ppm)}} \\
        Ba & 5 & 486 & 466 & 461 & 472 & 473 & 468 & 18.00 & 3.70 & 11.20 & 1.20 \\ 
        Nb & 5 & 68.5 & 80 & 74 & 71 & 74 & 74.75 & 6.25 & 9.12 & 7.55 & 5.05 \\ 
        Ni & 20 & 470 & 476 & 466 & 467 & 476 & 471.25 & 1.25 & 0.27 & 11.00 & 1.17 \\ 
        Sc & 1 & 27 & 26 & 26 & 26 & 27 & 26.25 & 0.75 & 2.78 & 1.00 & 1.90 \\ 
        Sr & 2 & 317.1 & 316 & 317 & 314 & 315 & 315.5 & 1.60 & 0.35 & 2.58 & 0.41 \\ 
        Y & 3 & 35.5 & 35 & 34 & 35 & 35 & 34.75 & 0.75 & 1.41 & 1.00 & 1.44 \\ 
        Zr & 5 & 112 & 121 & 123 & 118 & 115 & 119.25 & 7.25 & 8.04 & 7.00 & 2.94 \\ 
        \bottomrule
    \end{tabular*}
    \begin{tablenotes}[flushleft]\setlength\labelsep{0pt}
    \item[]MDL = method detection limit, AVG = average, RSD = relative standard deviation, na = not analysed, Accur. = Accuracy, abs. = absolute, Exp. = Expected, \textsuperscript{*} (± \% relative to SO-19)
    \end{tablenotes}
    \end{threeparttable}
\end{table}
\end{document}

Some background explanation on

\begin{tabular*}{\linewidth}{l@{\extracolsep{\fill}}
                                     S[table-format=-2.2]
                                     *{6}{S[table-format=3.3]}
                                     *{4}{S[table-format=2.3]}}

The first argument ({\linewidth}) is the overall width of the table, the second argument contains the column specifiers. The first column is an l type colum. @{\extracolsep{\fill}} is added to make sure the table fits into the textwidth (Simplified, it evenly distributes extra horizontal white space between the columns.) The following three lines contain the column specifiers for the other 11 columns of the table. *{4}{S[table-format=2.3]} is identical to S[table-format=2.3] S[table-format=2.3] S[table-format=2.3] S[table-format=2.3] and was used since you mentioned wanting a more univeral setting that applied to the entire table. While one could also use \sisetup{table-format:=...} after \begin{table} and before tabular* in order to apply the settings to all S type columns in this particular tabular, your table needs different table-format options depending on the contents of the individual columns.

Related Solutions

[Tex/LaTex] Aligning numbers by decimal points in table columns

The newest option is using the S column type of the siunitx package.

\documentclass{article}

\usepackage{siunitx}

\begin{document}
\begin{tabular}{S[table-format=3.2]}% syntax for siunitx v2; for v1 use "tabformat"
555 \\
7.77 \\
99.9
\end{tabular}

\end{document}

example

[Tex/LaTex] siunitx – Decimal points not present

You probably want S columns. To load the package, use \usepackage{siunitx}, not the mix of lower and upper case you used. One way of splitting the multirow in 2 lines is to use a \parbox.

\documentclass{article}
\usepackage{siunitx}
\usepackage{multirow}
\usepackage{booktabs}

\begin{document}
\begin{table}
\caption{A table}
\begin{tabular}{rSSSSS} \toprule
    Amount food in area A:  & {0\%} & {25\%} & {50\%} & {75\%} & {100\%} \\ \midrule
    \multirow{12}{*}{\parbox{7em}{\% Collembolans \\ in area A:}}
             & 3.16 & 64.5 & 82.73 & 79 & 90.48 \\
             & 1.05 & 64.5 & 80.91 & 74 & 90.48 \\
             & 1.05 & 64.5 & 77.27 & 67 & 84.76 \\
             & 4 & 8 & 76.36 & 83 & 100 \\
             & 3.63 & 5.5 & 71 & 81 & 94 \\
             & 2 & 5 & 69 & 80 & 94 \\
             & 2 & 5 & 68 & 65 & 84.98 \\
             & 0.91 & 4.5 & 15 & 65 & 83.3 \\
             & 0 & 4.5    & 10 & 65 & 81.62 \\
             & 0 & ~ & 6 & ~ \\
             & 0 & ~ & ~ & ~ & ~ \\
             & 0 & ~ & ~ & ~ & ~ \\ \midrule
    Average: & {89\%} & {73\%} & {56\%} & {25\%} & {1\%}
\end{tabular}
\end{table}
\end{document}

enter image description here

The reason tables and figures disappear, is the body environment from the science package. This is defined as

\newenvironment{body}{\vspace{1pc}\begin{multicols}{2}}{\end{multicols}}

so it's basically a multicols environment with some space above it. Floats are not allowed in multicols. You could replace the figure/table environment with the center environment, load the caption package, and use \captionof{figure}{A figure} (replace figure with table for a table caption). However, your table is really too wide for a single column, so either use the table* environment which spans both columns, or make the table narrower, e.g. with Alan Munns suggestion.

Best Answer

Related Solutions

[Tex/LaTex] Aligning numbers by decimal points in table columns

[Tex/LaTex] siunitx – Decimal points not present

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