minor changes to manuscript

paper/paper.jats

@@ -146,13 +146,13 @@ a Creative Commons Attribution 4.0 International License (CC BY
   method
   (<xref alt="Brunauer et al., 1938" rid="ref-brunauer1938adsorption" ref-type="bibr">Brunauer
   et al., 1938</xref>). The BET method computes the surface area of a
-  material given the adsorption isotherm of a probe gas (i.e.,
-  N<sub>2</sub> or Ar) in that material. Many researchers either obtain
-  the BET area from commercial software that comes with measurement
-  equipment, or perform the analyses manually on a spreadsheet, which is
-  time-consuming and nearly impossible for some types of isotherms.
-  Furthermore, these two approaches lead to large variability in
-  BET-calculated areas
+  material given the adsorption isotherm of a probe gas
+  (i.e. N<sub>2</sub> or Ar) in that material. Many researchers either
+  obtain the BET area from commercial software that comes with
+  measurement equipment, or perform the analyses manually on a
+  spreadsheet, which is time-consuming and nearly impossible for some
+  types of isotherms. Furthermore, these two approaches lead to large
+  variability in BET-calculated areas
   (<xref alt="Osterrieth et al., 2022" rid="ref-betsi" ref-type="bibr">Osterrieth
   et al., 2022</xref>). These challenges have motivated the development
   of programs for the automated and standardized calculation of BET
@@ -352,7 +352,7 @@ a Creative Commons Attribution 4.0 International License (CC BY
   Furthermore, the SESAMI web interface allows the user to download
   figures generated by SESAMI 1 that indicate, among other things, the
   linear monolayer loading regions chosen by the BET and BET+ESW
-  approaches as well as the ESW plot
+  approaches, as well as the ESW plot
   (<xref alt="[fig:interface]" rid="figU003Ainterface">[fig:interface]</xref>).
   The user can convert output from commercial equipment to AIF format
   and upload the converted data to the interface for analysis. The
@@ -790,8 +790,8 @@ a Creative Commons Attribution 4.0 International License (CC BY
       <p>Settings used for software for isotherm to surface area
       calculation. All BET calculations by SESAMI 1 and pyGAPS reported
       in this work fulfill Rouquerol criteria 1 and 2. SESAMI 1 code
-      requires at least 4 points for a line, while pyGAPS requires at
-      least
+      requires at least 4 points for the linear region, while pyGAPS
+      requires at least
       3.<styled-content id="tabU003Asettings_table"></styled-content>
       </p>
     </caption>

paper/paper.md

@@ -46,7 +46,7 @@ bibliography: paper.bib
 
 # Statement of need
 
-Accurate characterization of surface area is critical for understanding a material's properties and performance. The most widely used approach to calculate a material’s gravimetric surface area, i.e. surface area per unit mass, is the Brunauer-Emmett-Teller (BET) method [@brunauer1938adsorption]. The BET method computes the surface area of a material given the adsorption isotherm of a probe gas (i.e., N~2~ or Ar) in that material. Many researchers either obtain the BET area from commercial software that comes with measurement equipment, or perform the analyses manually on a spreadsheet, which is time-consuming and nearly impossible for some types of isotherms. Furthermore, these two approaches lead to large variability in BET-calculated areas [@betsi]. These challenges have motivated the development of programs for the automated and standardized calculation of BET areas [@sesami_1; @pygaps; @sesami_2; @betsi; @beatmap]. 
+Accurate characterization of surface area is critical for understanding a material's properties and performance. The most widely used approach to calculate a material’s gravimetric surface area, i.e. surface area per unit mass, is the Brunauer-Emmett-Teller (BET) method [@brunauer1938adsorption]. The BET method computes the surface area of a material given the adsorption isotherm of a probe gas (i.e. N~2~ or Ar) in that material. Many researchers either obtain the BET area from commercial software that comes with measurement equipment, or perform the analyses manually on a spreadsheet, which is time-consuming and nearly impossible for some types of isotherms. Furthermore, these two approaches lead to large variability in BET-calculated areas [@betsi]. These challenges have motivated the development of programs for the automated and standardized calculation of BET areas [@sesami_1; @pygaps; @sesami_2; @betsi; @beatmap]. 
 
 # BET theory background
 The surface area of a material, $S$, can be calculated as 
@@ -80,7 +80,7 @@ SESAMI 1 applies computational routines to identify suitable linear regions of a
 
 SESAMI 2 applies a machine learning (specifically, regularized linear regression with LASSO) model for the accurate surface area prediction of high surface area materials, improving on BET performance for these materials [@sesami_2]. The LASSO model uses as input the average loading in seven isotherm pressure regions as well as pairwise products of these loadings. The SESAMI 1 and 2 routines support isotherms with N~2~ and argon adsorbate at 77 K and 87 K, respectively. We note that a recent study shows that surface areas determined from N~2~ and Ar isotherms are similar, despite the 2015 IUPAC report's suggested use of Ar [@datar2022brunauer; @thommes2015physisorption]. In addition, the SESAMI 1 code supports isotherms with arbitrary user-specified adsorbates if temperature and adsorbate cross-section and saturation vapor pressure are specified.
 
-The SESAMI web interface has extensive error handling and clearly alerts users of issues with their adsorption isotherm data. For example, it alerts the user if no ESW minima are found by SESAMI 1 or if the data is incompatible with SESAMI 2 code due to data sparsity in certain pressure regions. As shown in \autoref{fig:interface}, the interface displays SESAMI 1 calculation results including information on the chosen linear region, namely the satisfied Rouquerol criteria, the pressure range and number of data points in the region, and the coefficient of determination. The interface also displays intermediate SESAMI 1 values for surface area calculation, namely $C$ and $q_m$. Furthermore, the SESAMI web interface allows the user to download figures generated by SESAMI 1 that indicate, among other things, the linear monolayer loading regions chosen by the BET and BET+ESW approaches as well as the ESW plot (\autoref{fig:interface}). The user can convert output from commercial equipment to AIF format and upload the converted data to the interface for analysis. The SESAMI web interface is publicly available at <https://sesami-web.org/>, and source code is available at <https://github.com/hjkgrp/SESAMI_web>.
+The SESAMI web interface has extensive error handling and clearly alerts users of issues with their adsorption isotherm data. For example, it alerts the user if no ESW minima are found by SESAMI 1 or if the data is incompatible with SESAMI 2 code due to data sparsity in certain pressure regions. As shown in \autoref{fig:interface}, the interface displays SESAMI 1 calculation results including information on the chosen linear region, namely the satisfied Rouquerol criteria, the pressure range and number of data points in the region, and the coefficient of determination. The interface also displays intermediate SESAMI 1 values for surface area calculation, namely $C$ and $q_m$. Furthermore, the SESAMI web interface allows the user to download figures generated by SESAMI 1 that indicate, among other things, the linear monolayer loading regions chosen by the BET and BET+ESW approaches, as well as the ESW plot (\autoref{fig:interface}). The user can convert output from commercial equipment to AIF format and upload the converted data to the interface for analysis. The SESAMI web interface is publicly available at <https://sesami-web.org/>, and source code is available at <https://github.com/hjkgrp/SESAMI_web>.
 
 
 ![Information displayed by the SESAMI web interface after a calculation has been run, here for a GCMC isotherm of MIL-101. Apart from the inclusion of the LASSO prediction, default settings were used (e.g. N~2~ gas). a) Interface printout of information on the SESAMI 1 chosen linear regions, and SESAMI 1 and 2 calculation results. b) Figure download functionality for figures detailing the SESAMI 1 calculation.\label{fig:interface}](figures/web_interface.tif)
@@ -138,7 +138,7 @@ The CIF files used to generate GCMC isotherms, benchmark isotherms, XLSX files o
 | UiO-66 | 1251 | 1228 | 1413 | 1250 | 1249 | 1246 |
 | ZIF-8 | 1092 | 910 | 1214 | N/A | 1082 | 1047 |
 
-: Settings used for software for isotherm to surface area calculation. All BET calculations by SESAMI 1 and pyGAPS reported in this work fulfill Rouquerol criteria 1 and 2. SESAMI 1 code requires at least 4 points for a line, while pyGAPS requires at least 3.\label{tab:settings_table}
+: Settings used for software for isotherm to surface area calculation. All BET calculations by SESAMI 1 and pyGAPS reported in this work fulfill Rouquerol criteria 1 and 2. SESAMI 1 code requires at least 4 points for the linear region, while pyGAPS requires at least 3.\label{tab:settings_table}
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