Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an R Markdown script to reproduce the manuscript's figures.

SRM 3262 St. John's Wort (Hypericum perforatum L.) Aerial Parts - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.

SRM 3264 St. John's Wort (Hypericum perforatum L.) Methanol Extract - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in methanol extracts of Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.

SRM 3281 Cranberry (Fruit) - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids in the fruit of cranberries and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house control materials. This data is public in the Certificate of Analysis for this material.

SRM 3282 Low-Calorie Cranberry Juice Cocktail. This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids and nutrient elements in cranberry juice cocktails and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house control materials. A unit of SRM 3282 consists of five ampoules, each containing approximately 1.2 mL of material. This data is public in the Certificate of Analysis for this material.

SRM 3287 Blueberry (Fruit). This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids and nutrients in blueberries and similar materials. This SRM can also be used for quality assurance when assigning values to in-house control materials. A unit of SRM 3287 consists of five packets, each containing approximately 5 g of freeze-dried, powdered fruit. This data is public in the Certificate of Analysis for this material.

SRM 3532 Calcium-Containing Solid Oral Dosage Form - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining cholecalciferol (vitamin D3) and elements in a calcium dietary supplement and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. A unit of SRM 3532 consists of five packets, each containing approximately 10 g of material. This data is public in the Certificate of Analysis for this material.

A comparison of the expanded uncertainty for certified values of iodine in food matrix CRMs. The CRMS were found by searching The European Virtual Institute for Speciation Analysis (EVISA) database using the terms "Iodine" and "Certified" in the Material category. The uncertainties are expanded uncertainties at approximately 95% confidence.

The spreadsheet file reported herein provides centroid data, descriptive of deuterium uptake, for the Fab Fragment of NISTmAb (PDB: 5K8A) reference material, as measured by the bottom-up hydrogen-deuterium exchange mass spectrometry (HDX-MS) method. The protein sample was incubated in deuterium-rich solutions under uniform pH and salt concentrations between 3.6 degrees C and 25.4 degrees C for seven intervals ranging (0 to 14,400) s plus a control sample that simulates a Fab Fragment immersed for infinite time in D2O.

The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF).