Replication pack, FSE2018 submission #164:
------------------------------------------

**Working title:** Ecosystem-Level Factors Affecting the Survival of Open-Source Projects: 
A Case Study of the PyPI Ecosystem

**Note:** link to data artifacts is already included in the paper. 
Link to the code will be included in the Camera Ready version as well.


Content description
===================

- **ghd-0.1.0.zip** - the code archive. This code produces the dataset files 
 described below
- **settings.py** - settings template for the code archive.
- **dataset_minimal_Jan_2018.zip** - the minimally sufficient version of the dataset.
 This dataset only includes stats aggregated by the ecosystem (PyPI)
- **dataset_full_Jan_2018.tgz** - full version of the dataset, including project-level
 statistics. It is ~34Gb unpacked. This dataset still doesn't include PyPI packages
 themselves, which take around 2TB.
- **build_model.r, helpers.r** - R files to process the survival data 
  (`survival_data.csv` in **dataset_minimal_Jan_2018.zip**, 
  `common.cache/survival_data.pypi_2008_2017-12_6.csv` in 
  **dataset_full_Jan_2018.tgz**)
- **Interview protocol.pdf** - approximate protocol used for semistructured interviews.
- LICENSE - text of GPL v3, under which this dataset is published
- INSTALL.md - replication guide (~2 pages)

Replication guide
=================

Step 0 - prerequisites
----------------------

- Unix-compatible OS (Linux or OS X)
- Python interpreter (2.7 was used; Python 3 compatibility is highly likely)
- R 3.4 or higher (3.4.4 was used, 3.2 is known to be incompatible)

Depending on detalization level (see Step 2 for more details):
- up to 2Tb of disk space (see Step 2 detalization levels)
- at least 16Gb of RAM (64 preferable)
- few hours to few month of processing time

Step 1 - software
----------------

- unpack **ghd-0.1.0.zip**, or clone from gitlab:

   git clone https://gitlab.com/user2589/ghd.git
   git checkout 0.1.0
 
 `cd` into the extracted folder. 
 All commands below assume it as a current directory.
  
- copy `settings.py` into the extracted folder. Edit the file:
  * set `DATASET_PATH` to some newly created folder path
  * add at least one GitHub API token to `SCRAPER_GITHUB_API_TOKENS` 
- install docker. For Ubuntu Linux, the command is 
  `sudo apt-get install docker-compose`
- install libarchive and headers: `sudo apt-get install libarchive-dev`
- (optional) to replicate on NPM, install yajl: `sudo apt-get install yajl-tools`
 Without this dependency, you might get an error on the next step, 
 but it's safe to ignore.
- install Python libraries: `pip install --user -r requirements.txt` . 
- disable all APIs except GitHub (Bitbucket and Gitlab support were
 not yet implemented when this study was in progress): edit
 `scraper/init.py`, comment out everything except GitHub support
 in `PROVIDERS`.

Step 2 - obtaining the dataset
-----------------------------

The ultimate goal of this step is to get output of the Python function 
`common.utils.survival_data()` and save it into a CSV file:

  # copy and paste into a Python console
  from common import utils
  survival_data = utils.survival_data('pypi', '2008', smoothing=6)
  survival_data.to_csv('survival_data.csv')

Since full replication will take several months, here are some ways to speedup
the process:

####Option 2.a, difficulty level: easiest

Just use the precomputed data. Step 1 is not necessary under this scenario.

- extract **dataset_minimal_Jan_2018.zip**
- get `survival_data.csv`, go to the next step

####Option 2.b, difficulty level: easy

Use precomputed longitudinal feature values to build the final table.
The whole process will take 15..30 minutes.

- create a folder `

The following data shows riding information for members vs casual riders at the company Cyclistic(made up name). This is a dataset used as a case study for the google data analytics certificate.

The Changes Done to the Data in Excel: - Removed all duplicated (none were found) - Added a ride_length column by subtracting ended_at by started_at using the following formula "=C2-B2" and then turned that type into a Time, 37:30:55 - Added a day_of_week column using the following formula "=WEEKDAY(B2,1)" to display the day the ride took place on, 1= sunday through 7=saturday. - There was data that can be seen as ########, that data was left the same with no changes done to it, this data simply represents negative data and should just be looked at as 0.

Processing the Data in RStudio: - Installed required packages such as tidyverse for data import and wrangling, lubridate for date functions and ggplot for visualization. - Step 1: I read the csv files into R to collect the data - Step 2: Made sure the data all contained the same column names because I want to merge them into one - Step 3: Renamed all column names to make sure they align, then merged them into one combined data - Step 4: More data cleaning and analyzing - Step 5: Once my data was cleaned and clearly telling a story, I began to visualize it. The visualizations done can be seen below.

This dataset includes all the data and R code needed to reproduce the analyses in a forthcoming manuscript:Copes, W. E., Q. D. Read, and B. J. Smith. Environmental influences on drying rate of spray applied disinfestants from horticultural production services. PhytoFrontiers, DOI pending.Study description: Instructions for disinfestants typically specify a dose and a contact time to kill plant pathogens on production surfaces. A problem occurs when disinfestants are applied to large production areas where the evaporation rate is affected by weather conditions. The common contact time recommendation of 10 min may not be achieved under hot, sunny conditions that promote fast drying. This study is an investigation into how the evaporation rates of six commercial disinfestants vary when applied to six types of substrate materials under cool to hot and cloudy to sunny weather conditions. Initially, disinfestants with low surface tension spread out to provide 100% coverage and disinfestants with high surface tension beaded up to provide about 60% coverage when applied to hard smooth surfaces. Disinfestants applied to porous materials were quickly absorbed into the body of the material, such as wood and concrete. Even though disinfestants evaporated faster under hot sunny conditions than under cool cloudy conditions, coverage was reduced considerably in the first 2.5 min under most weather conditions and reduced to less than or equal to 50% coverage by 5 min. Dataset contents: This dataset includes R code to import the data and fit Bayesian statistical models using the model fitting software CmdStan, interfaced with R using the packages brms and cmdstanr. The models (one for 2022 and one for 2023) compare how quickly different spray-applied disinfestants dry, depending on what chemical was sprayed, what surface material it was sprayed onto, and what the weather conditions were at the time. Next, the statistical models are used to generate predictions and compare mean drying rates between the disinfestants, surface materials, and weather conditions. Finally, tables and figures are created. These files are included:Drying2022.csv: drying rate data for the 2022 experimental runWeather2022.csv: weather data for the 2022 experimental runDrying2023.csv: drying rate data for the 2023 experimental runWeather2023.csv: weather data for the 2023 experimental rundisinfestant_drying_analysis.Rmd: RMarkdown notebook with all data processing, analysis, and table creation codedisinfestant_drying_analysis.html: rendered output of notebookMS_figures.R: additional R code to create figures formatted for journal requirementsfit2022_discretetime_weather_solar.rds: fitted brms model object for 2022. This will allow users to reproduce the model prediction results without having to refit the model, which was originally fit on a high-performance computing clusterfit2023_discretetime_weather_solar.rds: fitted brms model object for 2023data_dictionary.xlsx: descriptions of each column in the CSV data files

This module series covers how to import, manipulate, format and plot time series data stored in .csv format in R. Originally designed to teach researchers to use NEON plant phenology and air temperature data; has been used in undergraduate classrooms.

Pathogen diversity resulting in quasispecies can enable persistence and adaptation to host defenses and therapies. However, accurate quasispecies characterization can be impeded by errors introduced during sample handling and sequencing which can require extensive optimizations to overcome. We present complete laboratory and bioinformatics workflows to overcome many of these hurdles. The Pacific Biosciences single molecule real-time platform was used to sequence PCR amplicons derived from cDNA templates tagged with universal molecular identifiers (SMRT-UMI). Optimized laboratory protocols were developed through extensive testing of different sample preparation conditions to minimize between-template recombination during PCR and the use of UMI allowed accurate template quantitation as well as removal of point mutations introduced during PCR and sequencing to produce a highly accurate consensus sequence from each template. Handling of the large datasets produced from SMRT-UMI sequencing was facilitated by a novel bioinformatic pipeline, Probabilistic Offspring Resolver for Primer IDs (PORPIDpipeline), that automatically filters and parses reads by sample, identifies and discards reads with UMIs likely created from PCR and sequencing errors, generates consensus sequences, checks for contamination within the dataset, and removes any sequence with evidence of PCR recombination or early cycle PCR errors, resulting in highly accurate sequence datasets. The optimized SMRT-UMI sequencing method presented here represents a highly adaptable and established starting point for accurate sequencing of diverse pathogens. These methods are illustrated through characterization of human immunodeficiency virus (HIV) quasispecies. Methods This serves as an overview of the analysis performed on PacBio sequence data that is summarized in Analysis Flowchart.pdf and was used as primary data for the paper by Westfall et al. "Optimized SMRT-UMI protocol produces highly accurate sequence datasets from diverse populations – application to HIV-1 quasispecies" Five different PacBio sequencing datasets were used for this analysis: M027, M2199, M1567, M004, and M005 For the datasets which were indexed (M027, M2199), CCS reads from PacBio sequencing files and the chunked_demux_config files were used as input for the chunked_demux pipeline. Each config file lists the different Index primers added during PCR to each sample. The pipeline produces one fastq file for each Index primer combination in the config. For example, in dataset M027 there were 3–4 samples using each Index combination. The fastq files from each demultiplexed read set were moved to the sUMI_dUMI_comparison pipeline fastq folder for further demultiplexing by sample and consensus generation with that pipeline. More information about the chunked_demux pipeline can be found in the README.md file on GitHub. The demultiplexed read collections from the chunked_demux pipeline or CCS read files from datasets which were not indexed (M1567, M004, M005) were each used as input for the sUMI_dUMI_comparison pipeline along with each dataset's config file. Each config file contains the primer sequences for each sample (including the sample ID block in the cDNA primer) and further demultiplexes the reads to prepare data tables summarizing all of the UMI sequences and counts for each family (tagged.tar.gz) as well as consensus sequences from each sUMI and rank 1 dUMI family (consensus.tar.gz). More information about the sUMI_dUMI_comparison pipeline can be found in the paper and the README.md file on GitHub. The consensus.tar.gz and tagged.tar.gz files were moved from sUMI_dUMI_comparison pipeline directory on the server to the Pipeline_Outputs folder in this analysis directory for each dataset and appended with the dataset name (e.g. consensus_M027.tar.gz). Also in this analysis directory is a Sample_Info_Table.csv containing information about how each of the samples was prepared, such as purification methods and number of PCRs. There are also three other folders: Sequence_Analysis, Indentifying_Recombinant_Reads, and Figures. Each has an .Rmd file with the same name inside which is used to collect, summarize, and analyze the data. All of these collections of code were written and executed in RStudio to track notes and summarize results. Sequence_Analysis.Rmd has instructions to decompress all of the consensus.tar.gz files, combine them, and create two fasta files, one with all sUMI and one with all dUMI sequences. Using these as input, two data tables were created, that summarize all sequences and read counts for each sample that pass various criteria. These are used to help create Table 2 and as input for Indentifying_Recombinant_Reads.Rmd and Figures.Rmd. Next, 2 fasta files containing all of the rank 1 dUMI sequences and the matching sUMI sequences were created. These were used as input for the python script compare_seqs.py which identifies any matched sequences that are different between sUMI and dUMI read collections. This information was also used to help create Table 2. Finally, to populate the table with the number of sequences and bases in each sequence subset of interest, different sequence collections were saved and viewed in the Geneious program. To investigate the cause of sequences where the sUMI and dUMI sequences do not match, tagged.tar.gz was decompressed and for each family with discordant sUMI and dUMI sequences the reads from the UMI1_keeping directory were aligned using geneious. Reads from dUMI families failing the 0.7 filter were also aligned in Genious. The uncompressed tagged folder was then removed to save space. These read collections contain all of the reads in a UMI1 family and still include the UMI2 sequence. By examining the alignment and specifically the UMI2 sequences, the site of the discordance and its case were identified for each family as described in the paper. These alignments were saved as "Sequence Alignments.geneious". The counts of how many families were the result of PCR recombination were used in the body of the paper. Using Identifying_Recombinant_Reads.Rmd, the dUMI_ranked.csv file from each sample was extracted from all of the tagged.tar.gz files, combined and used as input to create a single dataset containing all UMI information from all samples. This file dUMI_df.csv was used as input for Figures.Rmd. Figures.Rmd used dUMI_df.csv, sequence_counts.csv, and read_counts.csv as input to create draft figures and then individual datasets for eachFigure. These were copied into Prism software to create the final figures for the paper.

The objective behind attempting this dataset was to understand the predictors that contribute to the life expectancy around the world. I have used Linear Regression, Decision Tree and Random Forest for this purpose. Steps Involved: - Read the csv file - Data Cleaning: - Variables Country and Status were showing as having character data types. These had to be converted to factor - 2563 missing values were encountered with Population variable having the most of the missing values i.e 652 - Missing rows were dropped before we could run the analysis. 3) Run Linear Regression - Before running linear regression, 3 variables were dropped as they were not found to be having that much of an effect on the dependent variable i.e Life Expectancy. These 3 variables were Country, Year & Status. This meant we are now working with 19 variables (1 dependent and 18 independent variables) - We run the linear regression. Multiple R squared is 83% which means that independent variables can explain 83% change or variance in the dependent variable. - OULTLIER DETECTION. We check for outliers using IQR and find 54 outliers. These outliers are then removed before we run the regression analysis once again. Multiple R squared increased from 83% to 86%. - MULTICOLLINEARITY. We check for multicollinearity using the VIF model(Variance Inflation Factor). This is being done in case when two or more independent variables showing high correlation. The thumb rule is that absolute VIF values above 5 should be removed. We find 6 variables that have a VIF value higher than 5 namely Infant.deaths, percentage.expenditure,Under.five.deaths,GDP,thinness1.19,thinness5.9. Infant deaths and Under Five deaths have strong collinearity so we drop infant deaths(which has the higher VIF value). - When we run the linear regression model again, VIF value of Under.Five.Deaths goes down from 211.46 to 2.74 while the other variable's VIF values reduce very less. Variable thinness1.19 is now dropped and we run the regression once more. - Variable thinness5.9 whose absolute VIF value was 7.61 has now dropped to 1.95. GDP and Population are still having VIF value more than 5 but I decided against dropping these as I consider them to be important independent variables. - SET THE SEED AND SPLIT THE DATA INTO TRAIN AND TEST DATA. We run the train data and get multiple R squared of 86% and p value less than that of alpha which states that it is statistically significant. We use the train data to predict the test data to find out the RMSE and MAPE. We run the library(Metrics) for this purpose. - In Linear Regression, RMSE (Root Mean Squared Error) is 3.2. This indicates that on an average, the predicted values have an error of 3.2 years as compared to the actual life expectancy values. - MAPE (Mean Absolute Percentage Error) is 0.037. This indicates an accuracy prediction of 96.20% (1-0.037). - MAE (Mean Absolute Error) is 2.55. This indicates that on an average, the predicted values deviate by approximately 2.83 years from the actual values.

We use DECISION TREE MODEL for the analysis.

• Run the required libraries (rpart, rpart.plot, RColorBrewer, rattle).
• We run the decision tree analysis using rpart and plot the tree. We use fancyRpartPlot.
• We use 5 fold cross validation method with CP (complexity parameter) being 0.01.
• In Decision Tree , RMSE (Root Mean Squared Error) is 3.06. This indicates that on an average, the predicted values have an error of 3.06 years as compared to the actual life expectancy values.
• MAPE (Mean Absolute Percentage Error) is 0.035. This indicates an accuracy prediction of 96.45% (1-0.035).
• MAE (Mean Absolute Error) is 2.35. This indicates that on an average, the predicted values deviate by approximately 2.35 years from the actual values.

We use RANDOM FOREST for the analysis.

• Run library(randomForest)
• We use varImpPlot to find out which variables are most significant and least significant. Income composition is the most important followed by adult mortality and the least relevant independent variable is Population.
• Predict Life expectancy through random forest model.
• In Random Forest , RMSE (Root Mean Squared Error) is 1.73. This indicates that on an average, the predicted values have an error of 1.73 years as compared to the actual life expectancy values.
• MAPE (Mean Absolute Percentage Error) is 0.01. This indicates an accuracy prediction of 98.27% (1-0.01).
• MAE (Mean Absolute Error) is 1.14. This indicates that on an average, the predicted values deviate by approximately 1.14 years from the actual values.

Conclusion: Random Forest is the best model for predicting the life expectancy values as it has the lowest RMSE, MAPE and MAE.

# Annotated 12 lead ECG dataset

Contain 827 ECG tracings from different patients, annotated by several cardiologists, residents and medical students.
It is used as test set on the paper:
"Automatic Diagnosis of the Short-Duration12-Lead ECG using a Deep Neural Network".

It contain annotations about 6 different ECGs abnormalities:
- 1st degree AV block (1dAVb);
- right bundle branch block (RBBB);
- left bundle branch block (LBBB);
- sinus bradycardia (SB);
- atrial fibrillation (AF); and,
- sinus tachycardia (ST).

## Folder content:

- `ecg_tracings.hdf5`: HDF5 file containing a single dataset named `tracings`. This dataset is a 
`(827, 4096, 12)` tensor. The first dimension correspond to the 827 different exams from different 
patients; the second dimension correspond to the 4096 signal samples; the third dimension to the 12
different leads of the ECG exam. 

The signals are sampled at 400 Hz. Some signals originally have a duration of 
10 seconds (10 * 400 = 4000 samples) and others of 7 seconds (7 * 400 = 2800 samples).
In order to make them all have the same size (4096 samples) we fill them with zeros
on both sizes. For instance, for a 7 seconds ECG signal with 2800 samples we include 648
samples at the beginning and 648 samples at the end, yielding 4096 samples that are them saved
in the hdf5 dataset. All signal are represented as floating point numbers at the scale 1e-4V: so it should
be multiplied by 1000 in order to obtain the signals in V.

In python, one can read this file using the following sequence:
```python
import h5py
with h5py.File(args.tracings, "r") as f:
  x = np.array(f['tracings'])
```

- The file `attributes.csv` contain basic patient attributes: sex (M or F) and age. It
contain 827 lines (plus the header). The i-th tracing in `ecg_tracings.hdf5` correspond to the i-th line.
- `annotations/`: folder containing annotations csv format. Each csv file contain 827 lines (plus the header).
The i-th line correspond to the i-th tracing in `ecg_tracings.hdf5` correspond to the in all csv files.
The csv files all have 6 columns `1dAVb, RBBB, LBBB, SB, AF, ST`
corresponding to weather the annotator have detect the abnormality in the ECG (`=1`) or not (`=0`).
 1. `cardiologist[1,2].csv` contain annotations from two different cardiologist.
 2. `gold_standard.csv` gold standard annotation for this test dataset. When the cardiologist 1 and cardiologist 2
 agree, the common diagnosis was considered as gold standard. In cases where there was any disagreement, a 
 third senior specialist, aware of the annotations from the other two, decided the diagnosis. 
 3. `dnn.csv` prediction from the deep neural network described in 
 "Automatic Diagnosis of the Short-Duration 12-Lead ECG using a Deep Neural Network". The threshold is set in such way 
 it maximizes the F1 score.
 4. `cardiology_residents.csv` annotations from two 4th year cardiology residents (each annotated half of the dataset).
 5. `emergency_residents.csv` annotations from two 3rd year emergency residents (each annotated half of the dataset).
 6. `medical_students.csv` annotations from two 5th year medical students (each annotated half of the dataset).

Categorical scatterplots with R for biologists: a step-by-step guide

Benjamin Petre1, Aurore Coince2, Sophien Kamoun1

1 The Sainsbury Laboratory, Norwich, UK; 2 Earlham Institute, Norwich, UK

Weissgerber and colleagues (2015) recently stated that ‘as scientists, we urgently need to change our practices for presenting continuous data in small sample size studies’. They called for more scatterplot and boxplot representations in scientific papers, which ‘allow readers to critically evaluate continuous data’ (Weissgerber et al., 2015). In the Kamoun Lab at The Sainsbury Laboratory, we recently implemented a protocol to generate categorical scatterplots (Petre et al., 2016; Dagdas et al., 2016). Here we describe the three steps of this protocol: 1) formatting of the data set in a .csv file, 2) execution of the R script to generate the graph, and 3) export of the graph as a .pdf file.

Protocol

• Step 1: format the data set as a .csv file. Store the data in a three-column excel file as shown in Powerpoint slide. The first column ‘Replicate’ indicates the biological replicates. In the example, the month and year during which the replicate was performed is indicated. The second column ‘Condition’ indicates the conditions of the experiment (in the example, a wild type and two mutants called A and B). The third column ‘Value’ contains continuous values. Save the Excel file as a .csv file (File -> Save as -> in ‘File Format’, select .csv). This .csv file is the input file to import in R.

• Step 2: execute the R script (see Notes 1 and 2). Copy the script shown in Powerpoint slide and paste it in the R console. Execute the script. In the dialog box, select the input .csv file from step 1. The categorical scatterplot will appear in a separate window. Dots represent the values for each sample; colors indicate replicates. Boxplots are superimposed; black dots indicate outliers.

• Step 3: save the graph as a .pdf file. Shape the window at your convenience and save the graph as a .pdf file (File -> Save as). See Powerpoint slide for an example.

Notes

• Note 1: install the ggplot2 package. The R script requires the package ‘ggplot2’ to be installed. To install it, Packages & Data -> Package Installer -> enter ‘ggplot2’ in the Package Search space and click on ‘Get List’. Select ‘ggplot2’ in the Package column and click on ‘Install Selected’. Install all dependencies as well.

• Note 2: use a log scale for the y-axis. To use a log scale for the y-axis of the graph, use the command line below in place of command line #7 in the script.

7 Display the graph in a separate window. Dot colors indicate

replicates

graph + geom_boxplot(outlier.colour='black', colour='black') + geom_jitter(aes(col=Replicate)) + scale_y_log10() + theme_bw()

References

Dagdas YF, Belhaj K, Maqbool A, Chaparro-Garcia A, Pandey P, Petre B, et al. (2016) An effector of the Irish potato famine pathogen antagonizes a host autophagy cargo receptor. eLife 5:e10856.

Petre B, Saunders DGO, Sklenar J, Lorrain C, Krasileva KV, Win J, et al. (2016) Heterologous Expression Screens in Nicotiana benthamiana Identify a Candidate Effector of the Wheat Yellow Rust Pathogen that Associates with Processing Bodies. PLoS ONE 11(2):e0149035

Weissgerber TL, Milic NM, Winham SJ, Garovic VD (2015) Beyond Bar and Line Graphs: Time for a New Data Presentation Paradigm. PLoS Biol 13(4):e1002128

https://cran.r-project.org/

http://ggplot2.org/

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file.

This data repository feeds into the meta-repository setup for post-processing of GCAM-SAM outputs. GitHub link of meta-repository is: https://github.com/JGCRI/Kyle-etal_2022_EF

Folders: model/ is the static version of the model used to simulate 8 scenarios. See the GitHub GCAM-SAM repository to follow active development of this model. inputs/ folder contains input datasets and scripts used to prepare files while postprocessing. This is to be used with GitHub post-processing meta-repository. outdata/ contains GCAM-SAM output and post-processed output files used to plot figures.

Key files: SAM-matrix.dat is the consolidated GCAM-SAM output. Use proj_load.R in the metarepo to read the file. region_vals.csv has all 8 indicators in all 8 scenarios for years 2020 till 2100 on a 10 year time step.

Short introduction to the study:

In this paper sustainable agriculture matrix (SAM) is estimated to 2100 using Global Change Analysis Model (GCAM). We model combinatorial variations of yield intensification, dietary shift, and greenhouse gas mitigation scenarios. Findings include scenarios having significant tradeoffs across multiple environmental, economic, and social dimensions. Assessment of these multi-dimensional tradeoffs in a consistent framework improves the quality of information for decision-making.

Should you have any questions, feel free to reach out Page Kyle at pkyle@pnnl.gov.

Context

To make this a seamless process, I cleaned the data and delete many variables that I thought were not important to our dataset. I then uploaded all of those files to Kaggle for each of you to download. The rideshare_data has both lyft and uber but it is still a cleaned version from the dataset we downloaded from Kaggle.

Use of Data Files

You can easily subset the data into the car types that you will be modeling by first loading the csv into R, here is the code for how you do this:

This loads the file into R

df<-read.csv('uber.csv')

The next codes is to subset the data into specific car types. The example below only has Uber 'Black' car types.

df_black<-subset(uber_df, uber_df$name == 'Black')

This next portion of code will be to load it into R. First, we must write this dataframe into a csv file on our computer in order to load it into R.

write.csv(df_black, "nameofthefileyouwanttosaveas.csv")

The file will appear in you working directory. If you are not familiar with your working directory. Run this code:

getwd()

The output will be the file path to your working directory. You will find the file you just created in that folder.

Inspiration

Your data will be in front of the world's largest data science community. What questions do you want to see answered?

This folder contains R codes and datasets for sub-figures of Figure 2.Figure 2A codes make a matrix based on Supplemental Table 6.Figure 2B codes read in csv data "figure2b.csv".

Cover crops provide many agroecosystem services, including weed suppression, which is partially exerted through release of allelopathic benzoxazinoid (BX) compounds. This research characterizes (1) changes in concentrations of BX compounds in shoots, roots, and soil at three growth stages (GS) of cereal rye (Secale cereale L.), and (2) their degradation over time following termination. Concentrations of shoot dominant BX compounds, DIBOA-glc and DIBOA, were least at GS 83 (boot). The root dominant BX compound, HMBOA-glc, concentration was least at GS 54 (elongation). Rhizosphere soil BX concentrations were 1000 times smaller than in root tissues. Dominant compounds in soil were HMBOA-glc and HMBOA. Concentrations of BX compounds were similar for soil near root crowns and between-rows. Soil BX concentrations following cereal rye termination declined exponentially over time in three of four treatments: incorporated shoots (S) and roots (R), no-till S+R (cereal rye rolled flat), and no-till R (shoots removed), but not in no-till S. On the day following cereal rye termination, soil concentrations of HMBOA-glc and HMBOA in these three treatments increased above initial concentrations. Concentrations of these two compounds decreased the fastest while DIBOA-glc declined the slowest (half-life of 4 d in no-till S+R soil). Placement of shoots on the surface of an area where cereal rye had not grown (no-till S) did not increase soil concentrations of BX compounds. The short duration and complex dynamics of BX compounds in soil prior to and following termination illustrate the limited window for enhancing weed suppression by cereal rye allelochemicals; valuable information for programs breeding for enhanced weed suppression. In addition to the data analyzed for this article, we also include the R code. Resources in this dataset:Resource Title: BX data following termination. File Name: FinalBXsForMatt-20200908.csvResource Description: For each sample, gives the time, depth, location, and plot treatment, and then the compound concentrations. This is the principal data set analyzed with the R (anal2-cleaned.r) code, see that code for use.Resource Title: BX compounds from 3rd sampling time before termination. File Name: soil2-20201123.csvResource Description: These data are for comparison with the post termination data. They were taken at the 3rd sampling time (pre-termination), a day prior to termination. Each sample is identified with a treatment, date, and plot location, in addition to the BX concentrations. See R code (anal2-cleaned.r) for how this file is used.Resource Title: Soil location (within row versus between row) values of BX compounds. File Name: s2b.csvResource Description: Each row gives the average BX compound for each soil location (within row versus between row) for the second sample for each plot. These data are combined with bx3 (the data set read in from the file , "FinalBXsForMatt-20200908.csv"). See R (anal2-cleaned.r) code for use.Resource Title: R code for analysis of the decay (post-termination) BX data.. File Name: anal2-cleaned.rResource Description: This is the R code used to analyze the termination data. It also creates and writes out some data subsets (used for analysis and plots) that are later read in.Resource Software Recommended: R version 3.6.3,url: https://www.R-project.org/ Resource Title: Tissue BX compounds. File Name: tissues20210728b.csvResource Description: Data file holding results from a tissue analysis for BX compounds, in ug, from shoots and roots, and at various sampling times. Read into the R file, anal1-cleaned.r where it is used in a statistical analysis and to create figures.Resource Title: BX compounds from soil with a live rye cover crop. File Name: soil2-20201214.csvResource Description: BX compounds (in ng/g dry wt), by treatment, sampling time, date, and plot ID. These are data are read into the R program, anal1-cleaned.r, for analysis and to create figures. These are soil samples taken from locations with a live rye plant cover crop.Resource Title: R code for BX analyses of soil under rye and plant tissues. File Name: anal1-cleaned.rResource Description: R code for analysis of the soil BX compounds under a live rye cover crop at different growing stages, and for the analysis of tissue BX compounds. In addition to statistical analyses, code in this file creates figures, also some statistical output that is used to create a file that is later read in for figure creation (s2-CLD20220730-Stage.csv).Resource Software Recommended: R version 3.6.3,url: https://www.R-project.org/ Resource Title: Description of data files for anal2-cleaned.r. File Name: readme2.txtResource Description: Describes the input files used in the R code in anal2-cleaned.r, including descriptions and formats for each field. The file also describes some output (results) files that were uploaded to this site. This is a plain ASCII text file.Resource Title: Estimates produced by anal2-cleaned.r from statistical modeling.. File Name: Estimates20201110.csvResource Description: Estimates produced by anal2-cleaned.r from statistical modeling (see readme2.txt)Resource Title: Summary statistics from anal2-cleaned.r. File Name: CV20210412.csvResource Description: Summary statistics from anal2-cleaned.r, used for plotsResource Title: Data summaries (same as CV20210412.csv), rescaled. File Name: RESCALE-20210412.csvResource Description: Same as "CV20210412.csv" except log of data have been rescaled to minimum at least zero and maximum one, see readme2.txtResource Title: Statistical summaries for different stages. File Name: s2-CLD20220730-Stage.csvResource Description: Statistical summaries used for creating a figure (not used in paper), used in anal1-cleaned.r; data for soil BX under living rye.Resource Title: Description of data files for anal1-cleaned.r. File Name: readme1.txtResource Description: Contains general descriptions of data imported into anal1-cleaned.r, and a description of each field. Also contains some descriptions of files output by anal1-cleaned.r, used to create tables or figures.

Overview

Data points present in this dataset were obtained following the subsequent steps: To assess the secretion efficiency of the constructs, 96 colonies from the selection plates were evaluated using the workflow presented in Figure Workflow. We picked transformed colonies and cultured in 400 μL TAP medium for 7 days in Deep-well plates (Corning Axygen®, No.: PDW500CS, Thermo Fisher Scientific Inc., Waltham, MA), covered with Breathe-Easy® (Sigma-Aldrich®). Cultivation was performed on a rotary shaker, set to 150 rpm, under constant illumination (50 μmol photons/m²s). Then 100 μL sample were transferred clear bottom 96-well plate (Corning Costar, Tewksbury, MA, USA) and fluorescence was measured using an Infinite® M200 PRO plate reader (Tecan, Männedorf, Switzerland). Fluorescence was measured at excitation 575/9 nm and emission 608/20 nm. Supernatant samples were obtained by spinning Deep-well plates at 3000 × g for 10 min and transferring 100 μL from each well to the clear bottom 96-well plate (Corning Costar, Tewksbury, MA, USA), followed by fluorescence measurement. To compare the constructs, R Statistic version 3.3.3 was used to perform one-way ANOVA (with Tukey's test), and to test statistical hypotheses, the significance level was set at 0.05. Graphs were generated in RStudio v1.0.136. The codes are deposit herein.

Info

ANOVA_Turkey_Sub.R -> code for ANOVA analysis in R statistic 3.3.3

barplot_R.R -> code to generate bar plot in R statistic 3.3.3

boxplotv2.R -> code to generate boxplot in R statistic 3.3.3

pRFU_+_bk.csv -> relative supernatant mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

sup_+_bl.csv -> supernatant mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

sup_raw.csv -> supernatant mCherry fluorescence dataset of 96 colonies for each construct.

who_+_bl2.csv -> whole culture mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

who_raw.csv -> whole culture mCherry fluorescence dataset of 96 colonies for each construct.

who_+_Chlo.csv -> whole culture chlorophyll fluorescence dataset of 96 colonies for each construct.

Anova_Output_Summary_Guide.pdf -> Explain the ANOVA files content

ANOVA_pRFU_+_bk.doc -> ANOVA of relative supernatant mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

ANOVA_sup_+_bk.doc -> ANOVA of supernatant mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

ANOVA_who_+_bk.doc -> ANOVA of whole culture mCherry fluorescence dataset of positive colonies, blanked with parental wild-type cc1690 cell of Chlamydomonas reinhardtii

ANOVA_Chlo.doc -> ANOVA of whole culture chlorophyll fluorescence of all constructs, plus average and standard deviation values.

Consider citing our work.

Molino JVD, de Carvalho JCM, Mayfield SP (2018) Comparison of secretory signal peptides for heterologous protein expression in microalgae: Expanding the secretion portfolio for Chlamydomonas reinhardtii. PLoS ONE 13(2): e0192433. https://doi.org/10.1371/journal. pone.0192433

This dataset contains files reconstructing single-cell data presented in 'Reference transcriptomics of porcine peripheral immune cells created through bulk and single-cell RNA sequencing' by Herrera-Uribe & Wiarda et al. 2021. Samples of peripheral blood mononuclear cells (PBMCs) were collected from seven pigs and processed for single-cell RNA sequencing (scRNA-seq) in order to provide a reference annotation of porcine immune cell transcriptomics at enhanced, single-cell resolution. Analysis of single-cell data allowed identification of 36 cell clusters that were further classified into 13 cell types, including monocytes, dendritic cells, B cells, antibody-secreting cells, numerous populations of T cells, NK cells, and erythrocytes. Files may be used to reconstruct the data as presented in the manuscript, allowing for individual query by other users. Scripts for original data analysis are available at https://github.com/USDA-FSEPRU/PorcinePBMCs_bulkRNAseq_scRNAseq. Raw data are available at https://www.ebi.ac.uk/ena/browser/view/PRJEB43826. Funding for this dataset was also provided by NRSP8: National Animal Genome Research Program (https://www.nimss.org/projects/view/mrp/outline/18464). Resources in this dataset:Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells 10X Format. File Name: PBMC7_AllCells.zipResource Description: Zipped folder containing PBMC counts matrix, gene names, and cell IDs. Files are as follows: matrix of gene counts* (matrix.mtx.gx) gene names (features.tsv.gz) cell IDs (barcodes.tsv.gz) *The ‘raw’ count matrix is actually gene counts obtained following ambient RNA removal. During ambient RNA removal, we specified to calculate non-integer count estimations, so most gene counts are actually non-integer values in this matrix but should still be treated as raw/unnormalized data that requires further normalization/transformation. Data can be read into R using the function Read10X().Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells Metadata. File Name: PBMC7_AllCells_meta.csvResource Description: .csv file containing metadata for cells included in the final dataset. Metadata columns include: nCount_RNA = the number of transcripts detected in a cell nFeature_RNA = the number of genes detected in a cell Loupe = cell barcodes; correspond to the cell IDs found in the .h5Seurat and 10X formatted objects for all cells prcntMito = percent mitochondrial reads in a cell Scrublet = doublet probability score assigned to a cell seurat_clusters = cluster ID assigned to a cell PaperIDs = sample ID for a cell celltypes = cell type ID assigned to a cellResource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells PCA Coordinates. File Name: PBMC7_AllCells_PCAcoord.csvResource Description: .csv file containing first 100 PCA coordinates for cells. Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells t-SNE Coordinates. File Name: PBMC7_AllCells_tSNEcoord.csvResource Description: .csv file containing t-SNE coordinates for all cells.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells UMAP Coordinates. File Name: PBMC7_AllCells_UMAPcoord.csvResource Description: .csv file containing UMAP coordinates for all cells.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - CD4 T Cells t-SNE Coordinates. File Name: PBMC7_CD4only_tSNEcoord.csvResource Description: .csv file containing t-SNE coordinates for only CD4 T cells (clusters 0, 3, 4, 28). A dataset of only CD4 T cells can be re-created from the PBMC7_AllCells.h5Seurat, and t-SNE coordinates used in publication can be re-assigned using this .csv file.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - CD4 T Cells UMAP Coordinates. File Name: PBMC7_CD4only_UMAPcoord.csvResource Description: .csv file containing UMAP coordinates for only CD4 T cells (clusters 0, 3, 4, 28). A dataset of only CD4 T cells can be re-created from the PBMC7_AllCells.h5Seurat, and UMAP coordinates used in publication can be re-assigned using this .csv file.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - Gamma Delta T Cells UMAP Coordinates. File Name: PBMC7_GDonly_UMAPcoord.csvResource Description: .csv file containing UMAP coordinates for only gamma delta T cells (clusters 6, 21, 24, 31). A dataset of only gamma delta T cells can be re-created from the PBMC7_AllCells.h5Seurat, and UMAP coordinates used in publication can be re-assigned using this .csv file.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - Gamma Delta T Cells t-SNE Coordinates. File Name: PBMC7_GDonly_tSNEcoord.csvResource Description: .csv file containing t-SNE coordinates for only gamma delta T cells (clusters 6, 21, 24, 31). A dataset of only gamma delta T cells can be re-created from the PBMC7_AllCells.h5Seurat, and t-SNE coordinates used in publication can be re-assigned using this .csv file.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - Gene Annotation Information. File Name: UnfilteredGeneInfo.txtResource Description: .txt file containing gene nomenclature information used to assign gene names in the dataset. 'Name' column corresponds to the name assigned to a feature in the dataset.Resource Title: Herrera-Uribe & Wiarda et al. PBMCs - All Cells H5Seurat. File Name: PBMC7.tarResource Description: .h5Seurat object of all cells in PBMC dataset. File needs to be untarred, then read into R using function LoadH5Seurat().

This dataset contains all the data and code needed to reproduce the analyses in the manuscript: Penn, H. J., & Read, Q. D. (2023). Stem borer herbivory dependent on interactions of sugarcane variety, associated traits, and presence of prior borer damage. Pest Management Science. https://doi.org/10.1002/ps.7843 Included are two .Rmd notebooks containing all code required to reproduce the analyses in the manuscript, two .html file of rendered notebook output, three .csv data files that are loaded and analyzed, and a .zip file of intermediate R objects that are generated during the model fitting and variable selection process. Notebook files 01_boring_analysis.Rmd: This RMarkdown notebook contains R code to read and process the raw data, create exploratory data visualizations and tables, fit a Bayesian generalized linear mixed model, extract output from the statistical model, and create graphs and tables summarizing the model output including marginal means for different varieties and contrasts between crop years. 02_trait_covariate_analysis.Rmd: This RMarkdown notebook contains R code to read raw variety-level trait data, perform feature selection based on correlations between traits, fit another generalized linear mixed model using traits as predictors, and create graphs and tables from that model output including marginal means by categorical trait and marginal trends by continuous trait. HTML files These HTML files contain the rendered output of the two RMarkdown notebooks. They were generated by Quentin Read on 2023-08-30 and 2023-08-15. 01_boring_analysis.html 02_trait_covariate_analysis.html CSV data files These files contain the raw data. To recreate the notebook output the CSV files should be at the file path project/data/ relative to where the notebook is run. Columns are described below. BoredInternodes_26April2022_no format.csv: primary data file with sugarcane borer (SCB) damage Columns A-C are the year, date, and location. All location values are the same. Column D identifies which experiment the data point was collected from. Column E, Stubble, indicates the crop year (plant cane or first stubble) Column F indicates the variety Column G indicates the plot (integer ID) Column H indicates the stalk within each plot (integer ID) Column I, # Internodes, indicates how many internodes were on the stalk Columns J-AM are numbered 1-30 and indicate whether SCB damage was observed on that internode (0 if no, 1 if yes, blank cell if that internode was not present on the stalk) Column AN indicates the experimental treatment for those rows that are part of a manipulative experiment Column AO contains notes variety_lookup.csv: summary information for the 16 varieties analyzed in this study Column A is the variety name Column B is the total number of stalks assessed for SCB damage for that variety across all years Column C is the number of years that variety is present in the data Column D, Stubble, indicates which crop years were sampled for that variety ("PC" if only plant cane, "PC, 1S" if there are data for both plant cane and first stubble crop years) Column E, SCB resistance, is a categorical designation with four values: susceptible, moderately susceptible, moderately resistant, resistant Column F is the literature reference for the SCB resistance value Select_variety_traits_12Dec2022.csv: variety-level traits for the 16 varieties analyzed in this study Column A is the variety name Column B is the SCB resistance designation as an integer Column C is the categorical SCB resistance designation (see above) Columns D-I are continuous traits from year 1 (plant cane), including sugar (Mg/ha), biomass or aboveground cane production (Mg/ha), TRS or theoretically recoverable sugar (g/kg), stalk weight of individual stalks (kg), stalk population density (stalks/ha), and fiber content of stalk (percent). Columns J-O are the same continuous traits from year 2 (first stubble) Columns P-V are categorical traits (in some cases continuous traits binned into categories): maturity timing, amount of stalk wax, amount of leaf sheath wax, amount of leaf sheath hair, tightness of leaf sheath, whether leaf sheath becomes necrotic with age, and amount of collar hair. ZIP file of intermediate R objects To recreate the notebook output without having to run computationally intensive steps, unzip the archive. The fitted model objects should be at the file path project/ relative to where the notebook is run. intermediate_R_objects.zip: This file contains intermediate R objects that are generated during the model fitting and variable selection process. You may use the R objects in the .zip file if you would like to reproduce final output including figures and tables without having to refit the computationally intensive statistical models. binom_fit_intxns_updated_only5yrs.rds: fitted brms model object for the main statistical model binom_fit_reduced.rds: fitted brms model object for the trait covariate analysis marginal_trends.RData: calculated values of the estimated marginal trends with respect to year and previous damage marginal_trend_trs.rds: calculated values of the estimated marginal trend with respect to TRS marginal_trend_fib.rds: calculated values of the estimated marginal trend with respect to fiber content Resources in this dataset:Resource Title: Sugarcane borer damage data by internode, 1993-2021. File Name: BoredInternodes_26April2022_no format.csvResource Title: Summary information for the 16 sugarcane varieties analyzed. File Name: variety_lookup.csvResource Title: Variety-level traits for the 16 sugarcane varieties analyzed. File Name: Select_variety_traits_12Dec2022.csvResource Title: RMarkdown notebook 2: trait covariate analysis. File Name: 02_trait_covariate_analysis.RmdResource Title: Rendered HTML output of notebook 2. File Name: 02_trait_covariate_analysis.htmlResource Title: RMarkdown notebook 1: main analysis. File Name: 01_boring_analysis.RmdResource Title: Rendered HTML output of notebook 1. File Name: 01_boring_analysis.htmlResource Title: Intermediate R objects. File Name: intermediate_R_objects.zip

Data presented here are those collected from a survey of Ecology professors at 48 undergraduate institutions to assess the current state of data management education. The following files have been uploaded:

Scripts(2): 1. DataCleaning_20120105.R is an R script for cleaning up data prior to analysis. This script removes spaces, substitutes text for codes, removed duplicate schools, and converts questions and answers from the survey into more simple parameter names, without any numbers, spaces, or symbols. This script is heavily annotated to assist the user of the file in understanding what is being done to the data files. The script produces the file cleandata_[date].Rdata, which is called in the file DataTrimming_20120105.R 2. DataTrimming_20120105.R is an R script for trimming extraneous variables not used in final analyses. Some variables are combined as needed and NAs (no answers) are removed. The file is heavily annotated. It produces trimdata_[date].Rdata, which was imported into Excel for summary statistics.

Data files (3) 3. AdvancedSpreadsheet_20110526.csv is the output file from the SurveyMonkey online survey tool used for this project. It is a .csv sheet with the complete set of survey data, although some data (e.g., open-ended responses, institution names) are removed to prevent schools and/or instructors from being identifiable. This file is read into DataCleaning_20120105.R for cleaning and editing. 4. VariableRenaming_20110711.csv is called into the DataCleaning_20120105.R script to convert the questions and answers from the survey into simple parameter names, without any numbers, spaces, or symbols. 5. ParamTable.csv is a list of the parameter names used for analysis and the value codes. It can be used to understand outputs from the scripts above (cleandata_[date].Rdata and trimdata_[date].Rdata).

Objective: To develop a clinical informatics pipeline designed to capture large-scale structured EHR data for a national patient registry.

Materials and Methods: The EHR-R-REDCap pipeline is implemented using R-statistical software to remap and import structured EHR data into the REDCap-based multi-institutional Merkel Cell Carcinoma (MCC) Patient Registry using an adaptable data dictionary.

Results: Clinical laboratory data were extracted from EPIC Clarity across several participating institutions. Labs were transformed, remapped and imported into the MCC registry using the EHR labs abstraction (eLAB) pipeline. Forty-nine clinical tests encompassing 482,450 results were imported into the registry for 1,109 enrolled MCC patients. Data-quality assessment revealed highly accurate, valid labs. Univariate modeling was performed for labs at baseline on overall survival (N=176) using this clinical informatics pipeline.

Conclusion: We demonstrate feasibility of the facile eLAB workflow. EHR data is successfully transformed, and bulk-loaded/imported into a REDCap-based national registry to execute real-world data analysis and interoperability.

Methods eLAB Development and Source Code (R statistical software):

eLAB is written in R (version 4.0.3), and utilizes the following packages for processing: DescTools, REDCapR, reshape2, splitstackshape, readxl, survival, survminer, and tidyverse. Source code for eLAB can be downloaded directly (https://github.com/TheMillerLab/eLAB).

eLAB reformats EHR data abstracted for an identified population of patients (e.g. medical record numbers (MRN)/name list) under an Institutional Review Board (IRB)-approved protocol. The MCCPR does not host MRNs/names and eLAB converts these to MCCPR assigned record identification numbers (record_id) before import for de-identification.

Functions were written to remap EHR bulk lab data pulls/queries from several sources including Clarity/Crystal reports or institutional EDW including Research Patient Data Registry (RPDR) at MGB. The input, a csv/delimited file of labs for user-defined patients, may vary. Thus, users may need to adapt the initial data wrangling script based on the data input format. However, the downstream transformation, code-lab lookup tables, outcomes analysis, and LOINC remapping are standard for use with the provided REDCap Data Dictionary, DataDictionary_eLAB.csv. The available R-markdown ((https://github.com/TheMillerLab/eLAB) provides suggestions and instructions on where or when upfront script modifications may be necessary to accommodate input variability.

The eLAB pipeline takes several inputs. For example, the input for use with the ‘ehr_format(dt)’ single-line command is non-tabular data assigned as R object ‘dt’ with 4 columns: 1) Patient Name (MRN), 2) Collection Date, 3) Collection Time, and 4) Lab Results wherein several lab panels are in one data frame cell. A mock dataset in this ‘untidy-format’ is provided for demonstration purposes (https://github.com/TheMillerLab/eLAB).

Bulk lab data pulls often result in subtypes of the same lab. For example, potassium labs are reported as “Potassium,” “Potassium-External,” “Potassium(POC),” “Potassium,whole-bld,” “Potassium-Level-External,” “Potassium,venous,” and “Potassium-whole-bld/plasma.” eLAB utilizes a key-value lookup table with ~300 lab subtypes for remapping labs to the Data Dictionary (DD) code. eLAB reformats/accepts only those lab units pre-defined by the registry DD. The lab lookup table is provided for direct use or may be re-configured/updated to meet end-user specifications. eLAB is designed to remap, transform, and filter/adjust value units of semi-structured/structured bulk laboratory values data pulls from the EHR to align with the pre-defined code of the DD.

Data Dictionary (DD)

EHR clinical laboratory data is captured in REDCap using the ‘Labs’ repeating instrument (Supplemental Figures 1-2). The DD is provided for use by researchers at REDCap-participating institutions and is optimized to accommodate the same lab-type captured more than once on the same day for the same patient. The instrument captures 35 clinical lab types. The DD serves several major purposes in the eLAB pipeline. First, it defines every lab type of interest and associated lab unit of interest with a set field/variable name. It also restricts/defines the type of data allowed for entry for each data field, such as a string or numerics. The DD is uploaded into REDCap by every participating site/collaborator and ensures each site collects and codes the data the same way. Automation pipelines, such as eLAB, are designed to remap/clean and reformat data/units utilizing key-value look-up tables that filter and select only the labs/units of interest. eLAB ensures the data pulled from the EHR contains the correct unit and format pre-configured by the DD. The use of the same DD at every participating site ensures that the data field code, format, and relationships in the database are uniform across each site to allow for the simple aggregation of the multi-site data. For example, since every site in the MCCPR uses the same DD, aggregation is efficient and different site csv files are simply combined.

Study Cohort

This study was approved by the MGB IRB. Search of the EHR was performed to identify patients diagnosed with MCC between 1975-2021 (N=1,109) for inclusion in the MCCPR. Subjects diagnosed with primary cutaneous MCC between 2016-2019 (N= 176) were included in the test cohort for exploratory studies of lab result associations with overall survival (OS) using eLAB.

Statistical Analysis

OS is defined as the time from date of MCC diagnosis to date of death. Data was censored at the date of the last follow-up visit if no death event occurred. Univariable Cox proportional hazard modeling was performed among all lab predictors. Due to the hypothesis-generating nature of the work, p-values were exploratory and Bonferroni corrections were not applied.

################################################################################################## THE FILES HAVE BEEN CREATED BY SZILÁRD ERHART FOR A RESEARCH: ERHART (2021): ESG RATINGS OF GENERAL # STOCK EXCHANGE INDICES, INTERNATIONAL REVIEW OF FINANCIAL ANALYSIS# USERS OF THE FILES AGREE TO QUOTE THE ABOVE PAPER# THE PYTHON SCRIPT (PYTHONESG_ERHART.TXT) HELPS USERS TO GET TICKERS BY STOCK EXCHANGES AND EXTRACT ESG SCORES FOR THE UNDERLYING STOCKS FROM YAHOO FINANCE.# THE R SCRIPT (ESG_UA.TXT) HELPS TO REPLICATE THE MONTE CARLO EXPERIMENT DETAILED IN THE STUDY.# THE EXPORT_ALL CSV CONTAINS THE DOWNLOADED ESG DATA (SCORES, CONTROVERSIES, ETC) ORGANIZED BY STOCKS AND EXCHANGES.############################################################################################################################################################################################################### DISCLAIMER # The author takes no responsibility for the timeliness, accuracy, completeness or quality of the information provided. # The author is in no event liable for damages of any kind incurred or suffered as a result of the use or non-use of the # information presented or the use of defective or incomplete information. # The contents are subject to confirmation and not binding. # The author expressly reserves the right to alter, amend, whole and in part, # without prior notice or to discontinue publication for a period of time or even completely. ###########################################################################################################################################READ ME############################################################# BEFORE USING THE MONTE CARLO SIMULATIONS SCRIPT: # (1) COPY THE goascores.csv and goalscores_alt.csv FILES ONTO YOUR ON COMPUTER DRIVE. THE TWO FILES ARE IDENTICAL.# (2) SET THE EXACT FILE LOCATION INFORMATION IN THE 'Read in data' SECTION OF THE MONTE CARLO SCRIPT AND FOR THE OUTPUT FILES AT THE END OF THE SCRIPT# (3) LOAD MISC TOOLS AND MATRIXSTATS IN YOUR R APPLICATION# (4) RUN THE CODE.####################################READ ME

Female S. mulitplicata mate preferences were measured via two-choice phonotaxis experiments in the laboratory at University of North Carolina-Chapel Hill. Detailed data collection methods can be found in the manuscript and associated supplementary methods file.