deletions | additions       diff --git a/begin_table_label_table_vsqm__.tex b/begin_table_label_table_vsqm__.tex  deleted file mode 100644  index 7eb63b0..0000000  --- a/begin_table_label_table_vsqm__.tex  +++ /dev/null 
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\begin{table}  \label{table:vsqm}  \caption{  Comparison of ProCS//PM6-D3H+ and OPBE/6-31G(d,p)//PM6-D3H+ chemical shielding values for 1UBQ and 2OED. The row marked "all" refers to predictions using the first X terms of Eq (1). The row marked $\Delta \sigma_{BB}^{i-1}$ refers to predictions where this terms has been excluded and similarly for the next six rows. The last row, marked ProCS15, refers to the optimum combination of terms for each atoms as a summarized in Table \ref{table:terms} and described further in the text. See Section 4.5 for details of the statistical analysis  }  \begin{center}  \begin{tabular}{ c c c c c c c }  \hline  & CA & CB & C & HA & H & N \\ \hline  & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) \\  1UBQ & & & & & & \\  all & 1.8 (0.75) & 3.0 (0.50) & 2.1 (0.72) & 0.6 (0.82) & 0.6 (0.89) & 4.5 (0.72) \\  prev & 1.8 (0.74) & 3.1 (0.48) & 2.1 (0.72) & 0.6 (0.82) & 0.6 (0.90) & 6.5 (0.50) \\  fol & 1.9 (0.71) & 3.1 (0.48) & 2.1 (0.73) & 0.6 (0.84) & 0.6 (0.89) & 4.5 (0.72) \\  primH & 1.7 (0.76) & 3.0 (0.50) & 2.1 (0.72) & 0.6 (0.82) & 1.3 (0.20) & 4.3 (0.75) \\  secH & 1.7 (0.75) & 3.0 (0.50) & 2.7 (0.53) & 0.6 (0.80) & 0.6 (0.87) & 5.5 (0.56) \\  primHA & 1.6 (0.79) & 2.5 (0.69) & 2.1 (0.72) & 1.0 (0.43) & 0.6 (0.89) & 4.4 (0.74) \\  secHA & 1.8 (0.74) & 3.0 (0.50) & 2.2 (0.71) & 0.6 (0.82) & 0.6 (0.89) & 4.5 (0.72) \\  RC & 1.8 (0.75) & 3.0 (0.50) & 2.1 (0.72) & 0.6 (0.81) & 0.6 (0.89) & 4.5 (0.72) \\  ProCS15 & 1.5 (0.81) & 2.5 (0.69) & 2.1 (0.72) & 0.6 (0.82) & 0.6 (0.89) & 4.3 (0.74) \\  2OED & & & & & & \\  all & 1.8 (0.81) & 2.0 (0.70) & 2.4 (0.60) & 0.5 (0.90) & 0.6 (0.91) & 4.7 (0.77) \\  prev & 1.7 (0.82) & 2.0 (0.68) & 2.5 (0.51) & 0.5 (0.90) & 0.6 (0.92) & 5.9 (0.62) \\  fol & 1.8 (0.81) & 1.9 (0.71) & 2.5 (0.55) & 0.5 (0.90) & 0.6 (0.91) & 4.2 (0.82) \\  primH & 1.7 (0.83) & 2.0 (0.70) & 2.3 (0.63) & 0.5 (0.90) & 1.4 (0.85) & 5.5 (0.69) \\  secH & 1.8 (0.80) & 2.0 (0.70) & 2.8 (0.50) & 0.6 (0.89) & 0.6 (0.91) & 5.6 (0.67) \\  primHA & 1.7 (0.82) & 1.8 (0.71) & 2.4 (0.62) & 1.1 (0.42) & 0.6 (0.92) & 3.7 (0.85) \\  secHA & 1.8 (0.81) & 2.0 (0.70) & 2.4 (0.60) & 0.5 (0.90) & 0.6 (0.91) & 4.6 (0.78) \\  RC & 1.8 (0.81) & 2.0 (0.70) & 2.4 (0.60) & 0.6 (0.88) & 0.6 (0.90) & 4.7 (0.77) \\  ProCS15 & 1.6 (0.84) & 1.8 (0.71) & 2.3 (0.63) & 0.5 (0.90) & 0.6 (0.91) & 2.7 (0.92) \\  \hline  \end{tabular}  \end{center}  \end{table}                                              diff --git a/layout.md b/layout.md  index f828fd6..3d17b22 100644  --- a/layout.md  +++ b/layout.md 
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section_Results_and_Discussion_subsection__.tex  subsection_Benchmarking_ProCS_against_full__.tex  In_the_case_of_CA__.tex  begin_table_label_table_vsqm__.tex  begin_center_begin_tabular_c__.tex  An_overview_of_the_terms__.tex  begin_table_label_table_terms__.tex