A04_Statement_of_Work_-_ICDD_software_subscription.pdf

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ICDD DATABASE LICENSE
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140G0126Q0170
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Statement of Need for Powder Diffraction Database and Analysis Software

This Statement of Need describes requirements for the USGS Geology, Energy & Minerals Science Center (GEMSC) to acquire a standalone floating database server license for powder diffraction data and associated analysis software. The procurement supports ten researchers across three laboratories (XRD, BRInE, and PORE) within the Mineral Resources and Energy Resources Programs. The solution is intended to enable precise determination of mineral and chemical composition of natural and synthetic materials analyzed on X-ray diffractometers. Research supported by this procurement directly aligns with Executive Order 14151 "Unleashing American Energy" and Executive Order 14241 "Immediate Measures to Increase American Mineral Production."

The required floating database server license must support unlimited PC workstations with simultaneous access for ten concurrent users, allow occasional researchers access without additional licensing costs, and permit annual renewals at prices lower than the initial year base price. Electronic renewal delivery is required. The powder diffraction database must contain over 400,000 inorganic materials and over 500,000 organic materials with single-phase tabulated X-ray powder diffraction data, characteristic interplanar spacings, relative intensities, and mineral physical and crystallographic properties. The diffraction data analysis software must provide searchable mineralogical phase identification, batch processing capabilities for Rietveld refinement and whole pattern fitting, diffraction data pattern indexing, Rietveld structural refinement, cluster analysis of powder patterns, and must operate independently of diffractometer hardware type.

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Statement Of Need

Description Of Need:

The USGS Geology, Energy & Minerals Science Center (GEMSC) has three laboratories (XRD, BRInE, PORE), and 10 researchers in need of accurate crystal chemical and mineralogical data for the characterization of natural and synthetic materials. These researchers are separately funded across the Mineral Resources and Energy Resources Programs within the Geology, Energy and Minerals Mission Area (GEMMA)

A standalone server license for a database containing independently verified powder diffraction data for inorganic and organic materials would allow for the precise determination of mineral and chemical data.

Furthermore, this would allow researchers to work simultaneously on their own workstations to independently assess and determine the identity and abundance of minerals for natural geological samples analyzed on the diffractometers housed within the X-ray Diffraction (XRD) lab in GESMC. The analysis and characterization of these materials is essential to research supported by Executive Order 14151 “Unleashing American Energy” and Executive Order 14241 “Immediate Measures to Increase American Mineral Production.”

Specifications/Salient Characteristics:

OVERVIEW OF FLOATING DATABASE SERVER LICENSE FOR DIFFRACTION DATA

• Must be a stand-alone license and an unlimited number of PC workstations

• Must provide access to occasional use researchers without additional cost

• Must allow simultaneous access to 10 users working concurrently on independent workstations

• Must allow for annual renewals at cost lower than initial year base price

• Must allow for electronically delivered annual database license renewals

POWDER DIFFRACTION DATABASE

• Must contain a collection of single-phase tabulated X-ray powder diffraction data

• Must contain characteristic interplanar spacings and corresponding relative intensities and mineral physical and crystallographic properties

• Must contain powder diffraction data for >400,000 inorganic and >500,000 organic materials

DIFFRACTION DATA ANALYSIS SOFTWARE

• Must be able to provide searchable mineralogical phase identification

• Must provide the ability to batch process diffraction data for Rietveld refinement and whole pattern fitting

• Must provide diffraction data pattern indexing

• Must provide Rietveld structural refinement

• Must provide cluster analysis of powder patterns

• Must perform independently of diffractometer hardware type

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