SAMDaily.us | PRESOL | 65 | Acquisition of NMR equipment upgrades for existing 500MHz Bruker Avance NMR spectrometers

SAMDAILY.US - ISSUE OF JUNE 04, 2022 SAM #7491
SOLICITATION NOTICE

65 -- Acquisition of NMR equipment upgrades for existing 500MHz Bruker Avance NMR spectrometers

Notice Date: 6/2/2022 12:15:37 PM
Notice Type: Combined Synopsis/Solicitation
NAICS: 334516 — Analytical Laboratory Instrument Manufacturing
Contracting Office: NATIONAL INSTITUTES OF HEALTH NICHD BETHESDA MD 20817 USA
ZIP Code: 20817
Solicitation Number: NICHD-22-133
Response Due: 6/17/2022 6:00:00 AM
Archive Date: 07/02/2022
Point of Contact: Amber Harris, Fax: 3014803278
E-Mail Address: amber.harris@nih.gov
(amber.harris@nih.gov)
Description: �� COMBINED SYNOPSIS / SOLICITATION WORKFORM (1)�� Action Code: �Combined Synopsis/Solicitation (2)�� Date: 6/2/2022 (3)�� Year: 2022 (4)�� Contracting Office Zip Code: 20892 (5)�� Project Service Code: 6515 - MEDICAL AND SURGICAL INSTRUMENTS, EQUIPMENT, AND SUPPLIES (6)�� Contracting Office Address: 6710B Rockledge Drive Bethesda, MD 20892 (7)�� Subject/Title: Acquisition of NMR equipment upgrades for existing 500MHz Bruker Avance NMR spectrometers (8)�� Proposed Solicitation Number: NICHD-22-133 (9)�� Closing Response Date: 6/17/2022 (10)�� Contact Point: Amber Harris (11)�� Contract Award and Solicitation Number: TBD (12)�� Contract Award Dollar Amount: TBD (13)�� Contract Line Item Number(s): TBD (14)�� Contractor Award Date: TBD (15)�� Contractor Name: TBD (16)�� Description: (Background) (i)�� This is a combined synopsis/solicitation for commercial items prepared in accordance with the format in Subpart 12.6 as supplemented with additional information included in this notice. �This announcement constitutes the only solicitation; quotes are being requested and a written solicitation will not be issued.�� (ii)�� The solicitation number is NICHD-22-133 and the solicitation is issued as a request for quote (RFQ). (iii)�� The solicitation document, the incorporated provisions and clauses are those in effect through Federal Acquisition Circular 2022-06 effective �05/26/2022. (iv)�� The associated NAICS code is 334516, Analytical Laboratory Instrument Manufacturing, and the small business size standard is 1,000. �The acquisition is being conducted in accordance with the procedures of FAR Part 12 and FAR Part 13.� (v)�� The Contractor Requirements are listed below: 1.0�� PURCHASE ORDER TITLE Acquisition of NMR equipment upgrades for existing 500MHz Bruker Avance NMR spectrometers �� 2.0�� BACKGROUND Each NMR spectrometer comprises a superconducting magnet, a console that controls the generation, application and detection of radiofrequency pulses, and a probe (plus associated cryoplatform) that detects the NMR signal and transmits this to the console. In contrast to superconducting magnets which last effectively forever, technological improvements both in console and probe design significantly enhance capabilities and permit one to design ever more complex experiments that were not previously feasible. The 500 MHz NMR console we are seeking to upgrade are in excess of 12 years of age, and is no longer serviceable, and hence need upgrading. �Further, the upgrades to the latest generation of consoles will increase attainable signal-to-noise by 20%, reduce spectrometer artefacts and facilitate high quality data acquisition in samples where the solvent is predominantly H2O (as opposed to D2O). (Note most NMR data are acquired in H2O to permit observation of exchange backbone and sidechain amide groups). � All our NMR spectrometers are being used to push the frontiers of NMR spectroscopy in structural biology, with considerable emphasis being placed on the application of these methods to AIDS related structural problems. These include work on HIV-1 Gag polyprotein, HIV-1 reverse transcriptase, the fusion and cytoplasmic domains of HIV-1 gp41, HIV-1 integrase, HIV-1 protease, and various host proteins that are relevant to the pathogenesis of AIDS. 3.0�� OBJECTIVE The main objective of this acquisition is to provide the NIDDK with the following: (1)�� Bruker Avance Neo 500 MHz console for Bruker 500 MHz spectrometer (NIH decal number, 01730549. 4.0 �� SALIENT / REQUIRED FEATURES AND SPECIFICATIONS Independently, and not as an agent of the Government, the Contractor shall perform all of the detailed Task Areas listed below. Deliver Upgrade to 500 MHz NMR spectrometer that is compatible with the existing Bruker NMR spectrometer systems that the items will be part of. The Contractor shall accept a trade-in of an existing Avance III 500 console and provide a discounted price for the trade-in. The Bruker Avance Neo 500 MHz console must be compatible with the existing NMR spectrometer system that the item will be part of. The Avance Neo 500 console will replacing the existing Avance III 500 console (Bruker ID BH046704). NIH will re-utilize one of their existing Bruker 500 MHz NMR probes on the new console. This probe will be provided at the time of delivery to the Bruker engineer so that the console can be installed. Otherwise the console will be considered installed and accepted at the time of delivery. The selected probe will be bench marked on the existing console. The benchmarks will be reproduced or exceed on the new console. �� AV4500c (1PC): NMR CONSOLE AVANCE NEO 500 MHZ: The AVANCE NEO system console electronics is housed within a stainless steel one bay or double bay cabinet for 19-inch format units providing RF shielding with highest immunity against DVB-T, ATSC, ISDB-T, etc. The cabinet offers enough space to accommodate various units like Bruker RF amplifiers etc. -�� The system console incorporates a state-of-the-art Ethernet ROUTER providing up to 14 TCP/IP based Ethernet ports for internal and external spectrometer devices such as sample changers, CryoProbe platforms, magnet control and monitoring equipment, Solid State NMR accessories, etc. It is equipped with a Bruker Power Distribution Unit (PDU) to enable software controlled console power-up and power-down via TopSpin. -�� A dedicated system control unit (SCU) containing an embedded processing CPU with 1TB hard disk drive allows versatile and flexible spectrometer control. It controls the overall timing of system for all RF channels, gradient channels, real time pulses, triggers, etc. Each RF channel provides a fully broad banded transmit and a fully broad banded receive channel (transceiver TRX1200). -�� Bruker 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 -�� Bruker Smart Magnet System (BSMS) supports: ?�� Ultra-stable, ultra-low noise B0 current source (ELCB) ?�� 2G Digital NMR Lock for 2H and/or 19F nuclei (L-TRX) ?�� Bruker Shim current sources (SCB20) -�� Bruker SmartVT control for up to 4 independent VT channels -�� Bruker SmartCoolers (e.g. BCU-I) -�� Bruker Low Temperature accessories (e.g. LN2 Exchanger) -�� Bruker High Temperature equipment (e.g. BVTE3900) -�� Bruker High Resolution gradient amplifiers (e.g. GAB/2) -�� Bruker RT Shim Systems and BST Upperparts �� Bruker preamplifier system (HPPR) supports: -�� Up to 8 RF preamplifiers -�� Fully Multi-receive, no extra wiring/components -�� Touch screen based human machine interface -�� Accurate tuning and matching with factory calibrated preamplifiers -�� Fully integrated automatic tuning and matching with ATM probes -�� Probe identification (PICS) interface # MAS rotor synchronization pre-configured # - AH0095 required for further trigger and real-time control options �� AH3002 (1PC):SHIM SYSTEM BOSS-3 SB PLUG -�� Bruker Standard Bore (SB) Magnet System high performance Matrix Orthogonal Shim System (BOSS-3 SB). Designed for optimum homogeneity at low current and with low heat dissipation. Features: ?�� 36 Matrix Shim Gradients ?�� B0 coil ?�� PT100 temperature sensor ?�� Identification coding (ID) �� AH3007 (1PC) SHIM UPPERPART BST SB Bruker Standard Bore (SB) Magnet System Sample Transfer (BST) for NMR sample insertion and ejection (SB Spinner supported). Features: ?�� Built-in sample-up sensor ?�� Built-in sample spinning/sample-down sensor ?�� Prepared for shim system cooling �� AH0243(2PC): Shim Current Board (SCB20) SCB20 is a high precision, ultra-stable shim current board. Depending on shim system type two units might be necessary # Compatible with all Bruker Orthogonal and Matrix shim systems (e.g. BOSS-3) Features ?�� 20 shim current sources ?�� 20Bit digital resolution each ?�� Shim current range +/- 1A each �� AH1206(1PC): BSMS GAB/2 for Z Gradients GAB/2 is a fast single channel gradient amplifier board prepared for pulsed field gradient shimming (TopShim) and single axis GRAdient enhanced SPectroscopy (GRASP). Its design offers offset-free operation without the need of blanking pulses. Features: ?�� 10A max. ?�� 16Bit resolution ?�� Pulslength up to 50ms per second ?�� Built-in pre-emphasis # TopShim uses lineshape optimization (see JMR 182(1), 38-48, 2006) # XYZ-gradient operation requires three GAB/2 units (see AH1204) �� AH1204(1PC): BSMS GAB/2 for XY Gradients Gradient amplifier package with 2 (two) GAB/2 units to extend single to triple axis Gradient enhanced SPectroscopy (GRASP). GAB/2 offers offset-free operation without the need of blanking pulses. # TopShim uses lineshape optimization (see JMR 182(1), 38-48, 2006) # XYZ-gradient operation requires three GAB/2 units (see AH1206) Features GAB/2:� ?�� 10A max. ?�� 16Bit resolution ?�� Pulslength up to 50ms per second ?�� Built-in pre-emphasis �� AH1015(1PC): VT Control Unit (BSVT) The Bruker SmartVT (BSVT) is a highly integrated gas flow system to control NMR sample lift (inject/eject) 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) ?�� High Temperature NMR ready (> 300�C with HT NMR probes) ?�� Supports SmartCoolers (BCU) and LN2 Low Temperature accessories ?�� Easy sample insertion with different kinds of spinner (ceramic, KEL-F, etc.). ?�� NMR Thermometer: accurate in-tube sample temperature determination # (*) e.g. SmartProbe, depends on environment and probe type �� BH3072(1PC): BSMS 2H Lock RF Unit (L-TRX) The L-TRX is a highly integrated 2H lock RF transceiver (transmit and receive) unit with incorporated 5W 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 ?�� Easy and reliable locking with complex deuterated solvents and this even in automation with e.g. Pyridine-d5 ?�� NMR Thermometer: accurate in-tube sample temperature determination # Can be extended with 19F lock RF unit (BH1230) for 19F lock operation �� BH2075 (4PC): �RF CHANNEL (TRX1200) �The TRX1200 is a highly integrated NMR RF transceiver (transmit and receive) unit with built-in pulse program engine (Sequencer, NCO/DDS, Shapes, etc.). Features: ?�� 5 to 1200 MHz (transmit and receive) ?�� 12.5ns timing resolution ?�� 12.5ns simultaneous setting of amplitude & phase & frequency ?�� 1GB sequencer waveform memory ?�� 1852 MHz high intermediate frequency (IF) ?�� up to 7.5 MHz spectral width ?�� digital resolution (effective dynamic range) o�� 17 Bit (SWH < 5 MHz) o�� 19 Bit (SWH < 1 MHz) o�� 23 Bit (SWH < 6 kHz) ?�� 240 MSPS / 16 Bit ADC, Digital Down Converter (DDC) ?�� 960 MSPS DAC, Digital Up Converter (DUC) �� BH3401 (1PC): �RF Amplifier BLABBH2H500/100/150, The BLABBH2H500/100/150 is a linear triple channel high RF power amplifier for X-nuclei, 1H (and 19F), and 2H observe and decoupling. It incorporates a fast deuterium 2H lock switch to enable fast switching between 2H decoupling and 2H lock operations. It has a built-in ethernet interfaced, computer controlled RF amplifier safety with forward/reflected RF power monitoring and diagnostics. Frequency ranges of BLABBH2H500/100150 models are Model �� BB-Channel�� H-Channel �� 2H-Channel 200-600 �� 15-600MHz (A1) 180-600 MHz (A2) 30-92 MHz(A3) 700-900 �� 15-600MHz (B1) 650-900 MHz (B2) 105-140 MHz (B3) 950-1000 �� 15-600MHz (C1) 890-1000 MHz (C2) 145-155 MHz(C3) Features: ?�� RF power A1: Min. 500W RF peak power (max. 50W CW) 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) - Pulse program controlled blanking �� BH3420 (1 PC): RF Amplifier BLABB500, The BLABB500 is a linear single channel high RF power amplifier for Xnuclei observe and decoupling. It provides two identical RF outputs connecting to different preamplifiers when appropriate (no manual rewiring). It has a built-in ethernet interfaced, computer controlled RF amplifier safety with forward/reflected RF power monitoring and diagnostics. Frequency range of BLABB500 model is: Model BB-Channel 200-600 15-600MHz Features: ?�� RF power: Min. 500W RF peak power (max. 50W CW) ?�� Pulse program controlled blanking # Note: # - for NMR instruments up to 1.2 GHz # - covers all X-nuclei within the frequency range �� BH0264 (1PC): HPPR HPLNA 1H Preamplifier The HPLNA 1H is a highly 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 ?�� Factory calibrated for accurate tuning and matching �� BH0243 (1PC): HPPR 2H Preamplifier, The HPPR 2H is a 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 ?�� Fast, pulse program controlled mode switching ?�� Built-in RF router for 2H lock and 2H observe ?�� Factory calibrated for accurate tuning and matching # No external filters required �� BH0269 (1PC): HPPR XBB19F 2H PASS Preamplifier The HPPR XBB19F 2HP (2H pass) is a linear, low noise, GaAs FET transistor technology based preamplifier for observe and decoupling of nuclei from 57Fe up to 19F with built-in 1H Stop RF filter. Features: ?�� Very low ~1.4dB system noise figure ?�� Max. 500W peak power RF capability ?�� Active transmit/receive switch ?�� Factory calibrated for accurate tuning and matching # Designed for broad banded High Resolution NMR probes �� BH0245 (1PC) HPPR 13C Preamplifier The HPPR 13C is a linear, low noise, GaAs FET transistor technology based preamplifier for 13C or 79Br observe and decoupling operation. Features: ?�� Very low ~1.4dB system noise figure ?�� Max. 500W peak power RF capability ?�� Active transmit/receive switch ?�� Factory calibrated for accurate tuning and matching # No external filters required �� BH0247 (1PC) HPPR 15N Preamplifier The HPPR 15N is a linear, low noise, GaAs FET transistor technology based preamplifier for 15N observe and decoupling operation. Features: ?�� Very low ~1.4dB system noise figure ?�� Max. 500W peak power RF capability ?�� Active transmit/receive switch ?�� Factory calibrated for accurate tuning and matching # No external filters required �� BH0266 (1PC): HR NMR RF FILTER 2H Stop 2H Stop RF Filter to be used together with broad banded High Resolution NMR RT probes. Features: ?�� Stop Band: 2H ?�� Pass Band: 19F - 75As, 17O - 57Fe �� PCLIN (1PC): NMR Workstation (LINUX), Configured NMR Workstation for AVANCE NEO NMR spectrometer series. Features (*): ?�� Intel Xeon E5-1620v4 (up to 3.8 GHz), Quad Core ?�� 16GB DDR4-2133 (2x8 GB) RAM ?�� NVIDIA Quadro K620 2 GB GFX graphics card ?�� 2TB 7200 RPM SATA HDD ?�� Integrated Intel I-218 Gbit LAN (SPECT) ?�� Intel Ethernet I210-T1 PCIe NIC (NET) ?�� 9.5 mm Slim SuperMulti DVDRW 1st ODD ?�� USB US-Keyboard and USB mouse ?�� Preinstalled CentOS 7 (64 Bit) and TopSpin 4.x (w/o license) # (*) Configuration can change without prior notice �� AP2521 (1PC): NMR WS MONITOR 24"" LCD 24"" TFT Monitor for NMR Workstations. �� SHTS000-04 (1PC) TopSpin 4.x Basic license, TopSpin4 NMR Software - Acquisition and Processing License. This software offers the full operating capability for spectrometer control, data acquisition (arbitrary dimensions) and processing (1D, 2D, 3D, 4D / nD) . capability for NMR data for WINDOWS, LINUX or MAC. Features: ?�� NMR acquisition in arbitrary dmensions, with guided acquisition setup ?�� NMRGuide for training of users in use of 1D and 2D, 132 experiments with NMR literature library ?�� IconNMR automation interface ?�� NMR data processing (1D, 2D, 3D, 4D and 5D) ?�� Processing of Non Uniformly Sampled (NUS) data for 2D spectra (basic version) ?�� Integration and deconvolution of NMR spectra ?�� NMRSIM and DAISY for experiment simulation and 1D and 2D spectra prediction ?�� Relaxation analysis (T1/T2), solid state lineshape analysis ?�� TopSpin integrated structure editor # License key only (software available for download from our webserver) �� AH0039 (1PC): BSVT Adaptor Type-T (standard probes), TC-T VT Adapter for NMR probes with Thermocouple type 'T' temperature sensors. Features: ?�� Probe Thermocouple type T interface (2x) ?�� Probe heater interface ?�� Probe heater safety sensor interface # For Standard Temperature NMR probes (up to 200�C) # Not required for iProbes (built-in VTA) �� AH0034 (1PC): BSVT Adaptor BTO (Probehead with BTO) VTA BTO (VT adapter) for NMR probes with BRUKER BTO-2000 style temperature sensors. Features: ?�� Probe BTO-2000 interface ?�� Probe heater interface ?�� Probe heater safety sensor interface # For Standard Temperature NMR probes (up to 200�C) # Not required for iProbes (built-in VTA) �� AH0016 (1PC): VT GAS COOLER (BCU-I), The SmartCooler (BCU-I) is a chiller for VT gas cooling of NMR probes. Achievable temperature within the probe depends on probe and selected VT gas flow but may be as low as ~0 �C. �� Features: ?�� VT gas temperature about -40 �C (at the end of the transferline) ?�� Up to 3000 litre per hour # Requires dry VT gas with at least -50 �C (at 1 bar) dew point temperature �� SHNS100A-04 (1PC): NUS-Professional license (ACA) Soft Lic NUS Prof. Proc. Pckge ACA Task Area 1 � shipping instructions The Contractor will ship the Bruker Avance Neo 500 MHz console to Bldg 6/Rm B1-27, 9000 Rockville Pike, Bethesda, MD 20892, within 5 - 6 Months ARO. �The items will be shipped Delivered Duty Paid (DDP) destination. �Payment terms, net due in 30 days ARO. �� 5.0�� PURCHASE ORDER TYPE This Purchase Order is to be a firm fixed price.� 6.0�� INSPECTION AND ACCEPTANCE Inspection and acceptance will be performed at the place of installation - National Institutes of Health, NIDDK, 9000 Rockville Pike, Maryland 20892. (i)�� This requirement is being pursued through the authority granted in FAR 52.211-6, Brand Name or Equal. This is a requirement for a BRUKER BIOSPIN CORP (1)�� Bruker Avance Neo 500 MHz console for Bruker 500 MHz spectrometer. � (ii)�� Period of Performance: �Date of Award through the Date/Time of Inspection and Acceptance of the delivered and installed equipment. (viii)�� The provision at FAR clause 52.212-1, Instructions to Offerors � Commercial Items, applies to this acquisition. (iii)�� The provision at FAR clause 52.212-2, Evaluation � Commercial Items, is applicable. �Award will be made to the contractor providing the most advantageous quote to the Government. �Technical factors and price considered with technical factors outweighing price. � Specifically, the following technical factors will be evaluated: i.�� The vendor will be evaluated on their quoted product meeting the specifications under section 16.v 4.0 SALIENT / REQUIRED FEATURES AND SPECIFICATIONS (x)�� FAR clause 52.212-3, Offeror Representations and Certifications � Commercial Items, is applicable. �An offeror shall complete only paragraphs (b) of this provision if the offeror has completed the annual representations and certificates electronically via http://www.acquisition.gov If an offeror has not completed the annual representations and certifications electronically at the System for Award Management (SAM) website, the offeror shall complete only paragraphs (c) through (p) of this provision. � (xi)�� FAR clause at 52.212-4, Contract Terms and Conditions � Commercial Items, applies to this acquisition. (xii)�� FAR clause at 52.212-5, Contract Terms and Conditions Required to Implement Statutes or Executive Orders � Commercial Items, applies to this acquisition. �Including the following clauses and Prohibitions: i.�� 52.209-9, Updates of Publicly Available Information Regarding Responsibility Matters (Jul 2013) (41 U.S.C. 2313) ii.�� 52.219-8, Utilization of Small Business Concerns (Oct 2014) (15 U.S.C. 637(d)(2) and (3)) iii.�� 52.219-28, Post Award Small Business Program Representation iv.�� 52.222-19, Child Labor�Cooperation with Authorities and Remedies (Jan 2014) (E.O. 13126). v.�� 52.222-21, Prohibition of Segregated Facilities vi.�� 52.222-26, Equal Opportunity vii.�� 52.222-35, Equal Opportunity for Veterans (Jul 2014) (38 U.S.C. 4212) viii.�� 52.222-36, Equal Opportunity for Workers with Disabilities ix.�� 52.222-37, Employment Reports on Veterans (Jul 2014) (38 U.S.C. 4212) x.�� 52.222-40, Notification of Employee Rights Under the National Labor Relations Act (Dec 2010) (E.O. 13496) xi.�� 52.222-50 Combating Trafficking in Persons xii.�� 52.223-18, Encouraging Contractor Policies to Ban Text Messaging while Driving� xiii.�� 52.225-1, Buy American--Supplies (May 2014) (41 U.S.C. chapter 83) xiv.�� 52.225-13, Restrictions on Certain Foreign Purchases Additional Clauses: i.�� 52.232-33, Payment by Electronic Funds Transfer� System for Award Management (Jul 2013) (31 U.S.C. 3332) ii.�� FAR 52.211-6, Brand Name or Equal (xiii)�� Additional Contract Requirements: None (xiv)�� The Defense Priorities and Allocations System (DPAS) and assigned rating are not applicable.� (xv)�� Offers shall be submitted via email to amber.harris@nih.gov (17)�� Place of Contract Performance:� �� National Institute of Health, NIDDK �� 8 Center Drive Bethesda, MD 20892 (18)�� Set-aside Status: This is not applicable to this requirement. �
Web Link: SAM.gov Permalink
(https://sam.gov/opp/82f56db0159b4b49a71a7db662a94990/view)
Place of Performance: Address: Bethesda, MD 20892, USA; Zip Code: 20892; Country: USA
Record: SN06346227-F 20220604/220602230114 (samdaily.us)
Source: SAM.gov Link to This Notice
(may not be valid after Archive Date)

| FSG Index | This Issue's Index | Today's SAM Daily Index Page |

Loren Data's SAM Daily™

65 -- Acquisition of NMR equipment upgrades for existing 500MHz Bruker Avance NMR spectrometers