class: center, middle, inverse, title-slide # Reproducible Data Analysis and Publishing in Chemistry with R ## Creating a workshop experience during the ACS National Meeting ### Donna Wrublewski ### April 23, 2020 <br /><br /> <a href="https://tinyurl.com/2020-04-23-dw-larug" class="uri">https://tinyurl.com/2020-04-23-dw-larug</a> --- # Co-Authors .pull-left[ Dr. Ye Li, Librarian for Chemistry & Chemical Engineering, MIT] .pull-right[ Dr. Steven Wathen, Professor of Chemistry, Siena Heights University] --- # Summary At the Fall 2019 American Chemical Society National Meeting, two chemistry librarians partnered with a chemistry faculty member to offer a hands-on computer programming workshop. The workshop used the R programming environment and was structured for beginners with no previous experience with it. Three main topics were covered during the five-hour session: introduction to R, working with QSAR data, and creating a report using R Markdown. This report will cover the workshop’s logistics, instructional design and content, and discuss feedback received from participants. Suggestions for future improvements will also be discussed. --- # Event Goals and Target Audience -- Provide intro to the R programming environment for chemists -- Script-based data analysis and authoring tools allow chemists to streamline data workflows and enhance reproducibility -- Improve transparency and reproducibility of research processes -- Hands-on learning experience for participants -- Resources for participants to share with their communities -- Intended audience: attendees at the Fall 2019 ACS National Meeting: chemical information professionals, students, and librarians --- # Logistics -- Date and Time: Saturday, August 24, 2019, 9am-2pm, two short breaks and a longer break for lunch -- Location of Workshop: Omni Hotel, an ACS Conference Hotel and in close proximity to the convention center -- Number of Attendees: 18 -- Cost of Workshop: - Instructors donated their time - Each participant paid a $40 registration fee - ACS Publications generously sponsored the rest of the facilities fees - ACS Division of Chemical Information provided logistical support and contingency funding --- # Instructional Design Approach using a Carpentries-style model: sticky notes for feedback, non-lecturing instructors providing individual support .pull-left[] .pull-right[] --- # Content The workshop was broken down into three parts: -- 1. Introduction to R and the RStudio Environment (taught by Ye) -- 2. Working with QSAR data (taught by Steve) -- 3. Creating a reproducible report using R Markdown (taught by Donna) -- Participants used a RStudio Cloud interface. --- # Want to have a look? --  Materials repo: https://github.com/YeLibrarian/R_ACS_20190824Materials --- # Lessons Learned **Overall, went well! But:** -- 1. Several learners suggested a longer workshop. Alternately, content could be chosen more judiciously, and the timing of breaks could be altered. -- 2. Provide print handouts for learners to follow during the lesson. Although the scripts and files used were heavily marked with comments intended to help the participants, some remarked that it was easy to get lost as content scrolled off the screen. A printout would have been easier to follow. -- 3. One issue was the low color contrast on the monitor. Using RStudio, comments in scripts appear as green, which was difficult to see on the particular screen that was in the workshop room. --- # Thanks! -- **ACS Publications** is gratefully acknowledged for their generous financial sponsorship of this event, without which it would not have been able to go forward. -- The **ACS Division of Chemical Information** is also deeply thanked for their commitment and support, including logistical assistance and contingency funding. -- **YOU** for your attention and interest! -- I finally leared to create slides with [**xaringan**](https://github.com/yihui/xaringan). Thanks Yihui :)