SOR_600 900MHz Console 862026.docx

STATEMENT OF REQUIREMENTS

Modernization of 600 MHz and 900 MHz NMR systems

I. BACKGROUND INFORMATION

The Biomolecular Structure and Function (BSF) group in the Biomolecular Measurement Division of the Materials Measurement Laboratory at the National Institute of Standards and Technology (NIST) (1) advances novel measurement methods and models for the determination and analysis of the structure and function of biological macromolecules, including lipids, DNA, RNA, and proteins and macromolecular complexes and assemblies formed by these molecules; (2) advances methods to determine the physical and chemical factors which determine the specific interactions of macromolecules with cofactors and ligands; (3) studies the relationships between biomolecule structure, dynamics, function, and energetics using computational, biophysical and biochemical techniques; (4) develops reference databases for these properties; and (5) advances measurement methods for engineering complex biological systems.

In support of this mission, the BSF group needs to modernize the console, cryoplatform, cryoprobe, and corresponding electronics of its Bruker 600MHz and 900 MHz Nuclear Magnetic Resonance (NMR) systems. The current components of the NMR system are beyond end-of-life and no longer supported by the vendor. In order to maintain world-class measurement capabilities in support of the biomanufacturing program, the current system needs a full upgrade. This system will also allow enhanced safety within the laboratory.

II. SPECIFICATIONS

The purpose of this requirement is to procure replacements and upgrades for BSF’s existing Bruker 600MHz and 900 MHz NMR systems. The replacements and upgrades must be able to interface directly with the existing Bruker 600MHz and 900 MHz NMR systems, respectively, located in the NIST NMR facility at the Institute for Bioscience and Biotechnology Research (IBBR). All components must be able to be controlled by the Bruker-specific software, Topspin 5.0 or greater. The existing magnets are as follows:

· 900 MHz: Magnet BR081090271; Part # M10902 ECL00

· 600 MHz: Magnet BZH 84/600/70A D 262/54 – 3321; Part # Z54238

The Contractor must provide the following:

A. 900 MHz NMR Modernization

The Contractor must deliver, install and provide training for one (1) 900MHz NMR console, one (1) cryoplatform, one (1) cryoprobe, one (1) room temperature probe, and corresponding electronics and consumables, meeting all specifications below. Additionally, the contractor shall provide operations and maintenance manuals for all products.

General Hardware Requirements:

· NMR CONSOLE AVANCE NEO-X 900 MHZ Standard Bore (SB)

· system characteristics (AQS):

· 80 MHz system clock, 12.5ns timing resolution

· Synchronicity on all channels within 12.5ns

· Gradient control for all Bruker gradient amplifiers

· Up to 8 RF channels

· Up to 4 trigger inputs with 12.5ns resolution

· Up to 4 real time output controls with 12.5ns resolution

· Ultra-stable, ultra-low noise B0 current source

· 2G Digital NMR Lock for 2H and/or 19F nuclei

· SmartVT control for up to 4 independent VT channels

· High Resolution gradient amplifiers

· Bruker preamplifier system (HPPR) supports:

· Up to 8 RF preamplifiers

· Fully multi-receive, no extra wiring/components

· Fully integrated automatic tuning and matching with ATM probes

· Probe identification (PICS) interface

· BMPC-3 system with corresponding uninterruptable power supply (UPS)

· Provides subcooling for the magnet with built-in redundancy with automatic switchover for cyclic replacement

· Dual mode pressure control using PID heater and absolute pressure device (APD)

· Integrated state-of-the-art electronics, relays, and switches to interface the control unit with the subcooling pumps

· Magnet monitoring (BMU) for measuring numerous essential parameters

· Touchscreen graphical user interface

· Alert notifications via email and SMS using supplied cellular modem (SIM card not included), and local alarms with buzzer and warning lights

· Auto-Diagnose ready with redundant connectivity path

· SHIM SYSTEM BOSS-3 SB PLUG: Standard bore (SB) magnet system high performance Matrix Orthogonal Shim System

· Features:

· 36 Matrix Shim Gradients

· B0 coil

· PT100 temperature sensor

· Identification coding (ID)

· SHIM UPPERPART BST SB: standard bore magnet system sample transfer for NMR sample insertion

· Features:

· Built-in sample-up sensor

· Built-in sample spinning/sample-down sensor

· Prepared for shim system cooling

· Shim Electronics (SCBB20): ultra-stable Shim current board

· Features

· 20 shim current sources

· 20Bit digital resolution each

· Shim current range +/- 1A each

· VT Control Unit: integrated gas flow system to control NMR sample lift and VT temperatures within the probe

· Features:

· Digital temperature sensor resolution better than 5 mK

· Excellent temperature stability of about 10 mK/K (*)

· Supports various temperature sensors (e.g., thermocouple T or E, PT100)

· Mass-flow based VT gas flow control and monitoring, up to 3000 l/h

· Built-in sample freeze protection together with CryoProbes

· Up to 4 independent heater channels (e.g., Flow probes)

· Supports SmartCoolers (BCU) and LN2 Low Temperature accessories

· Easy sample insertion with different kinds of spinner (ceramic, KEL-F, etc.).

· BSMS GAB/3 for Z Gradients: single channel gradient amplifier board for pulsed field gradient shimming.

· Features:

· 10A max.

· 21Bit resolution

· Pulse length up to 50ms per second

· 2H Lock Unit: B0 current source and integrated 2H lock RF transceiver unit incorporated 10W RF amplifier for field lock operation on deuterated solvents

· Features:

· Versatile DSS based 2H frequency RF generation

· Fast and accurate gradient shimming on 2H using TopShim

· RF CHANNEL (TRX1200): integrated RF transceiver unit with built-in pulse program engine

· Features:

· 5 to 1200 MHz (transmit and receive)

· 12.5ns timing resolution

· 12.5ns simultaneous setting of amplitude & phase & frequency

· 1GB sequencer waveform memory

· >1.8 GHz high intermediate frequency (IF)

· up to 10 MHz spectral width

· digital resolution (effective dynamic range) > 17 Bit (SWH < 5 MHz) > 19 Bit (SWH < 1 MHz) > 23 Bit (SWH < 6 kHz)

· 240 MSPS / 16 Bit ADC, Digital Down Converter (DDC)

· 960 MSPS DAC, Digital Up Converter (DUC)

· RF Amplifier BLABBH2H500/100/150: linear triple channel RF power amplifier for X-nuclei, 1H (and 19F), and 2H observe and decoupling. Includes a deuterium 2H lock switch between 2H decoupling and 2H lock operations

· Frequency ranges of BLABBH2H500/100150 models are

A2: Min. 100W RF peak power (max. 25W CW) A3: Min. 150W RF peak power (max. 15W CW) B1: Min. 500W RF peak power (max. 50W CW) B2: Min. 100W RF peak power (max. 25W CW) B3: Min. 250W RF peak power (max. 25W CW) C1: Min. 500W RF peak power (max. 50W CW) C2: Min. 100W RF peak power (max. 25W CW) C3: Min. 250W RF peak power (max. 25W CW)

· RF Amplifier BLABB500: linear single channel high RF channel amplifier for X-nuclei observe and decoupling.

· Frequency range:

Model: 200 – 600 15-600MHz (BB channel)

· Features:

· RF power A1: Min. 500W RF peak power (max. 50W CW)

· Pulse program controlled blanking

· HPPR HPLNA 1H Preamplifier: linear, low noise, GaAs FET transistor technology-based preamplifier for 1H and 19F observe, 1H and 19F decoupling and 19F lock operation

· Features:

· Ultralow ~1.0dB system noise figure

· Max. 4kW peak power RF capability

· Active transmit/receive switch

· Built-in RF power detector

· HPPR 2H Preamplifier: linear, low noise, GaAs FET transistor technology-based preamplifier for 2H observe, 2H decoupling and 2H lock operation

· Features:

· Very low ~1.4dB system noise figure

· Max. 500W peak power RF capability

· Active transmit/receive switch

· Built-in RF router for 2H lock and 2H observe

· HPPR 13C+15NPreamplifier Package: two linear, low noise, GaAs FET transistor technology-based preamplifiers for 13C and 15N observe and decoupling operation

· Features (each):

· Very low ~1.4dB system noise figure

· Max. 500W peak power RF capability

· Active transmit/receive switch

· Cryoprobe 5mm TCI 900 MHz The following specifications must meet or exceed:

· Features

· Helium-cooled preamplifiers for 1H, 13C, 15N, 2H

· 1H observation with 13C and/or 15N decoupling

· 2H lock

· 13C observation with 1H decoupling

· Z-gradient with 6 G/A*cm

· Automated tuning and matching (2G ATM)

· Variable temperature (VT) range: -40°C to +150°C

· VT gas: nitrogen

· Specifications Signal/Noise

Pulse Widths

Lineshape and Resolution (with 0.3% chloroform sample)

· 1H non-spinning lineshape ≤ 0.9 /8/16Hz (50%/0.55%/0.11%) Z-Gradient

· Gradient strength ≥ 60 G/cm (max current 10A)

· Gradient recovery time* ≤ 100 µs (90% signal amplitude) *With sample 0.1 mg GdCl3 / mL D2O + 1% H2O + 0.1% CH3OH; 5ms gradient square pulses strength +/- 37.5 G/cm

· CryoPlatform (water cooled): support system for helium-cooled cryoprobes

· Package includes:

· Cryo Cooling Unit/5 (CU/5)

· Transfer line support set to absorb vibrations

· Mounting system for He CryoProbe

· He gas bottle adaptor with 10 meter flexible line

· CryoPlatform upgrade to air-cooled He compressor

· Include an additional 10 meters of outdoor He-flexline set

· CryoPlatform N2 Liquifier (BSNL)

· re-condensation of the N2 gas within the LN2 dewar of a NMR magnet system

· liquid nitrogen hold time of up to 1 year

· CryoProbe Sample Protection Accessory

· Features:

· Provides emergency VT gas in case of probe VT gas outage

· Ejects NMR samples in case of sudden vacuum loss in cold state

· BSVT Adaptor CRP (cryoprobe / prodigy): variable temperature (VT) adapter

· VT gas cooler (BCU-I): chiller for VT gas cooling of NMR probes to as low as 0 °C

· Features:

· VT gas temperature about -40 °C (at the end of the transfer line)

· Up to 3000 liters per hour

General Computer and Software Requirements for 900 MHz NMR spectrometer:

· NMR Workstation: must be a LINUX-based system configured to operate the console. The following requirements are minimum specifications for the computer.

· Features:

· CPU: Intel Core i7 – 14700K, 3.4 GHz 16 cores

· RAM: 32 GB (1 x 32 GB) DDR5 4.8 GHz UDIMM

· GPU: Nvidia T400 4GB

· SSD: 2TB PCIE 2280 OPAL2 TLC M

· 2nd Ethernet: HP Flex 1 GBE Single Port

· 9.5mm DVD R/W Drive

· Mouse and keyboard

· Preinstalled Alma Linux 9.x

· NMR WS MONITOR 24" LCD

· SciY Analysis and Dad Package ACA

· Fully equipped processing, analysis, and data management

· Software License Suite, Topspin 5 (TS5 ACA) or better

· NMR data processing (1D, 2D, 3D, 4D/ nD)

· Processing non-uniformly sampled data

· Relaxation analysis (T1/T2)

· Labscape Prodiagnose: connection of NMR systems to AutoDiagnose system

· Features

· Health status overview

· System configuration

· Integrated cryogen level overview

· Integrated platform notifications

B. 600 MHz NMR Modernization

· NMR CONSOLE AVANCE NEO-X 600 MHZ

· system characteristics (AQS):

· 80 MHz system clock, 12.5ns timing resolution

· Synchronicity on all channels within 12.5ns

· Gradient control for all Bruker gradient amplifiers

· Up to 8 RF channels

· Up to 4 trigger inputs with 12.5ns resolution

· Up to 4 real time output controls with 12.5ns resolution

· Ultra-stable, ultra-low noise B0 current source

· 2G Digital NMR Lock for 2H and/or 19F nuclei

· Variable temperature (VT) control for up to 4 independent channels

· High Resolution gradient amplifiers (e.g. GAB/3)

· Bruker preamplifier system (HPPR) supports:

· Up to 8 RF preamplifiers

· Fully Multi-receive, no extra wiring/components

· Fully integrated automatic tuning and matching with ATM probes

· Probe identification (PICS) interface

· SHIM SYSTEM BOSS-3 SB PLUG: Standard bore (SB) magnet system high performance Matrix Orthogonal Shim System

· Features:

· 36 Matrix Shim Gradients

· B0 coil

· PT100 temperature sensor

· Identification coding (ID)

· SHIM UPPERPART BST SB: standard bore magnet system sample transfer for NMR sample insertion

· Features:

· Built-in sample-up sensor

· Built-in sample spinning/sample-down sensor

· Prepared for shim system cooling

· Shim Electronics (SCBB20): ultra-stable Shim current board

· Features

· 20 shim current sources

· 20Bit digital resolution each

· Shim current range +/- 1A each

· VT Control Unit: integrated gas flow system to control NMR sample lift and VT temperatures within the probe

· Features:

· Digital temperature sensor resolution better than 5 mK

· Excellent temperature stability of about 10 mK/K (*)

· Supports various temperature sensors (e.g. thermocouple T or E, PT100)

· Mass-flow based VT gas flow control and monitoring, up to 3000 l/h

· Built-in sample freeze protection together with CryoProbes

· Up to 4 independent heater channels (e.g. Flow probes)

· Supports SmartCoolers (BCU) and LN2 Low Temperature accessories

· Easy sample insertion with different kinds of spinner (ceramic, KEL-F, etc.).

· BSMS GAB/3 for Z Gradients: single channel gradient amplifier board for pulsed field gradient shimming.

· Features:

· 10A max.

· 21Bit resolution

· Pulse length up to 50ms per second

· BSMS GAB/3 for XY Gradients: extension from single to triple axis gradients (GRASP)

· Features GAB/3:

· 10A max.

· 21Bit resolution

· Pulse length up to 50ms per second

· BSMS 2H Lock RF Unit: integrated 2H lock RF transceiver unit incorporated 10W RF amplifier for field lock operation on deuterated solvents

· Features:

· Versatile DDS based 2H frequency RF generation

· Fast and accurate gradient shimming on 2H using TopShim

· RF CHANNEL (TRX1200): integrated RF transceiver unit with built-in pulse program engine

· Features:

· 5 to 1200 MHz (transmit and receive)

· 12.5ns timing resolution

· 12.5ns simultaneous setting of amplitude & phase & frequency

· 1GB sequencer waveform memory

· >1.8 GHz high intermediate frequency (IF)

· up to 10 MHz spectral width

· digital resolution (effective dynamic range) > 17 Bit (SWH < 5 MHz) > 19 Bit (SWH < 1 MHz) > 23 Bit (SWH < 6 kHz)

· 240 MSPS / 16 Bit ADC, Digital Down Converter (DDC)

· 960 MSPS DAC, Digital Up Converter (DUC)

· RF Amplifier BLABBH2H500/100/150: linear triple channel RF power amplifier for X-nuclei, 1H (and 19F), and 2H observe and decoupling. Includes a deuterium 2H lock switch between 2H decoupling and 2H lock operations

· Frequency ranges of BLABBH2H500/100150 models are

A2: Min. 100W RF peak power (max. 25W CW) A3: Min. 150W RF peak power (max. 15W CW) B1: Min. 500W RF peak power (max. 50W CW) B2: Min. 100W RF peak power (max. 25W CW) B3: Min. 250W RF peak power (max. 25W CW) C1: Min. 500W RF peak power (max. 50W CW) C2: Min. 100W RF peak power (max. 25W CW) C3: Min. 250W RF peak power (max. 25W CW)

· RF Amplifier BLA2BB500: linear double channel high RF channel amplifier for X-nuclei observe and decoupling. Two identical RF outputs will be provided.

· Frequency range:

Model: 200 – 600 BB-channel 1: 15-600MHz BB-Channel 2: 15-600 MHz

· Features:

· RF power A1: min. 500W RF peak power (max 50W CW)

· RF power A2: min. 500W RF peak power (max 50W CW)

· HPPR HPLNA 1H Preamplifier: linear, low noise, GaAs FET transistor technology-based preamplifier for 1H and 19F observe, 1H and 19F decoupling and 19F lock operation

· Features:

· Ultralow ~1.0dB system noise figure

· Max. 4kW peak power RF capability

· Active transmit/receive switch

· Built-in RF power detector

· HPPR 2H Preamplifier: linear, low noise, GaAs FET transistor technology-based preamplifier for 2H observe, 2H decoupling and 2H lock operation

· Features:

· Very low ~1.4dB system noise figure

· Max. 500W peak power RF capability

· Active transmit/receive switch

· Built-in RF router for 2H lock and 2H observe

· HPPR XBB19F 2H PASS Preamplifier: linear, low noise, GaAs FET transistor technology-based preamplifier. It allows for observe and decoupling of nuclei from 57Fe to 19F. The preamplifier should contain a built-in 1H RF filter.

· Features:

· Very low ~1.4dB system noise figure

· Max. 500W peak power RF capability

· Active transmit/receive switch

· HPPR 13C+15N+31P Preamplifier Package: three linear, low noise, GaAs FET transistor technology-based preamplifiers for 13C/79Br, 15N, and 31P observe and decoupling operation

· Features (each):

· Very low ~1.4dB system noise figure

· Max. 500W peak power RF capability

· Active transmit/receive switch

· Cryoprobe (He) 5mm QCI-P-H&F 600 MHz

· Features

· Helium-cooled preamplifiers for 1H, 13C, 15N, 31P, and 2H

· 1H or 19F observation

· 31P, 13C, 15N decoupling

· 2H lock

· 13C or 31P observation with 1H or 19F decoupling

· Z-gradient with 6 G/A*cm

· Automated tuning and matching

· Variable temperature (VT) range: -40°C to +150°C

· VT gas: nitrogen

· Specifications Signal/Noise

Pulse Widths

Lineshape and Resolution (with 0.3% chloroform sample)

· 1H non-spinning lineshape ≤ 0.7 /7/14Hz (50%/0.55%/0.11%) Z-Gradient

· Gradient strength ≥ 50 G/cm (max current 10A)

· Gradient recovery time* ≤ 100 µs (90% signal amplitude) *With sample 0.1 mg GdCl3 / mL D2O + 1% H2O + 0.1% CH3OH; 5ms gradient square pulses strength +/- 37.5 G/cm

· Cryoprobe (He) 5mm BBFO 600 MHz

· Features

· X-nuclei include 19F and the broadband range from 31P – 15N with 77Se – 153Eu excluded.

· Helium-cooled preamplifiers for 1H, BBF, and 2H

· Designed for X-nuclei (BBF) observation or decoupling

· 1H decoupling or observation

· 2H lock

· Z-gradient with 6 G/A*cm

· Automated tuning and matching

· Variable temperature (VT) range: -40°C to +150°C

· VT gas: nitrogen

· Specifications Signal/Noise

Pulse Widths

Lineshape and Resolution (with 0.3% chloroform sample)

· 1H non-spinning lineshape ≤ 0.8 /8/16Hz (50%/0.55%/0.11%) Z-Gradient

· Gradient strength ≥ 50 G/cm (max current 10A)

· Gradient recovery time* ≤ 100 µs (90% signal amplitude) *With sample 0.1 mg GdCl3 / mL D2O + 1% H2O + 0.1% CH3OH; 5ms gradient square pulses strength +/- 37.5 G/cm

· BSVT Adaptor CRP (cryoprobe / prodigy): variable temperature (VT) adapter

· BSVT Adaptor Type-T: allows adaptation of older probes with thermocouple type T sensors

· CryoPlatform N2 Liquifier (BSNL)

· re-condensation of the N2 gas within the LN2 dewar of a NMR magnet system

· liquid nitrogen hold time of up to 1 year

· SAMPLECASE Retrofit kit

· The existing SAMPLECASE autosampler will be integrated into the new system and will be fully functional upon acceptance.

· VT GAS COOLER (BCU-I): chiller for VT gas cooling of NMR probes to as low as 0 °C

· Features:

· VT gas temperature about -40 °C (at the end of the transfer line)

· Up to 3000 liter per hour

General Computer and Software Requirements:

· NMR Workstation: must be a LINUX-based system configured to operate the console. The following requirements are minimum specifications for the computer.

· Features:

· CPU: Intel Core i7 – 14700K, 3.4 GHz 16 cores

· RAM: 32 GB (1 x 32 GB) DDR5 4.8 GHz UDIMM

· GPU: Nvidia T400 4GB

· SSD: 2TB PCIE 2280 OPAL2 TLC M

· 2nd Ethernet: HP Flex 1 GBE Single Port

· 9.5mm DVD R/W Drive

· Mouse and keyboard

· Preinstalled Alma Linux 9.x

· NMR WS MONITOR 24" LCD

· TopSpin 5.x Basic license: This license must offer full spectrometer control, data acquisition and processing in a LINUX environment

· Features:

· NMR acquisition

· IconNMR automation interface

· SpinPolot automation software

· NMR data processing (1D, up to 8D)

· Processing of Non-Uniformly Sampled (NUS) data for 2D spectra

· Integration and deconvolution of NMR spectra

· NMRSIM and DAISY for experiment simulation and 1D and 2D spectra prediction

· Relaxation analysis (T1/T2)

· NMRGuide for training of users in use of 1D and 2D, Bruker Almanac, NMR tutorial

· SciY Analysis and Dad Package ACA

· Fully equipped processing, analysis, and data management

· Labscape Prodiagnose: connection of NMR systems to AutoDiagnose system

· Features

· Health status overview

· System configuration

· Integrated cryogen level overview

· Integrated platform notifications

C. Installation The Contractor must install the instrument at NIST/IBBR in Rockville, MD. Installation must include, at a minimum, uncrating/unpacking of all equipment, set-up and hook-up of all equipment, start-up, demonstration of specifications, and removal of all trash. Instrument must operate to manufacturer’s specifications upon installation. Installation must take place during normal business hours, between 8:30 am and 5:00 pm Eastern Time, Monday through Friday except Federal Holidays, and must be coordinated with the NIST Contracting Officer’s Representative (COR). Installation must occur within 60 calendar days of delivery.

D. Warranty The Contractor must provide a one (1) year warranty after acceptance. The warranty must include parts and labor (including field service labor and travel required to restore the equipment to normal operation.) The warranty must cover new replacement parts that function equally to originals. The warranty must also cover the software and that the software will perform in compliance with the written materials accompanying the software.

E. Training:

• The Contractor must provide in person training at NIST/IBBR for up to 3 NIST personnel for two (2) days. This training must cover normal operation, troubleshooting, and routine maintenance. Training must be provided during normal business hours, between 8:30am and 5:00pm Eastern Time, Monday through Friday, except Federal Holidays, and must be coordinated with the NIST COR or SME to ensure maximum availability of NIST personnel. Training must occur within 30 calendar days of installation. The training may be completed on-site at NIST immediately after installation and demonstration of specifications.

III. TRADE-IN EQUIPMENT

NIST owns 600 MHz and 900 MHz Bruker Avance III NMR systems and a BMPC2 (900MHz), all of which are available for trade-in following acceptance of the new NMR modernization (i.e., the requirements of this specifications document) by the Government. The contractor may provide trade-in credit for the NMR modernization. A trade-in credit is not required; however, proposed trade-in credit shall be applied to the total amount of the quotation during price evaluation.

IV. DELIVERY

Delivery shall be made in accordance with the due dates in the table below. Delivery terms must be FOB Destination or equivalent INCO Terms (such as Delivered Duties Paid). Delivery shall be made to:

NIST/IBBR

9600 Gudelsky Drive Rockville, Maryland 20850 United States

Normal duty hours are Monday through Friday, 8:30 a.m. to 5:00 p.m. with the exception of Federal holidays, and must be coordinated with the NIST COR.

DELIVERABLES

V. ACCEPTANCE CRITERIA

Formal acceptance shall be given by the Government when the Contractor demonstrates that all specifications in this statement of requirements (SOR) have been met (inclusive of delivery, installation, and training). For acceptance, it shall be demonstrated that all probes meet required specifications.

The Government will verify the contractor has met specifications. This acceptance testing period shall be 5 business days.

VI. GENERAL INFORMATION

Safety: The Contractor employee must be responsible for knowing and complying with commercial installation safety prevention regulations. Such regulations include, but are not limited to, general safety, fire prevention, and waste disposal.

Security: NIST/IBBR is a restricted campus. An identification badge is required for access for entry into buildings and may be obtained from the security desk upon arrival.

Identification Badges: Contractor employees must comply with NIST/IBBR identification and access requirements. Each Contractor employee must wear a visible identification badge provided by the NIST/IBBR security desk.