NMR Software

AutoCalibrate

Software for the automated calibration of NMR spectrometer parameters to ensure the best starting point for data collection

Great data for all users

all the time

Autocalibrate

Najważniejsze informacje

自动化平凡
We all need help organizing and managing our tasks. Let AutoCalibrate handle the mundane task of NMR instrument maintenance and calibration.
Wake up
一菲尼shed report! All the work is scheduled for the middle of the night, reports are prepared and ready for you first think in the morning. All automatically!
发现问题并恢复
用触手可及的数据,每天晚上常规审查收集的数据来解决NMR光谱仪上常见问题所需的数据。

Cechy charakterystyczne

Automated NMR instrument calibration

自动校准监视几个关键参数,确保用户始终生成出色的数据。这些参数可确保用户从实验,最少的人工制品和最佳分辨率中获得最佳的信号。无论他们运行的样本类型如何,自动校准都可以用于所有用户。被检查的参数是几乎所有NMR实验使用的全局参数,

  • 脉冲长度– optimized for optimal signal with minimal artifacts
  • 温度– optimized for stability to reduce artifacts and shimming problems
  • 3D Shimming– creates a daily base shim set (X, Y, and Z shims) to optimize resolution and reduce the amount of time spent on routine shimming (Z shims only).
  • 量化– ensures qNMR integrity so users have confidence in the spectrometer calibration

Korzyści

生成出色的NMR数据的关键要素

The aim of AutoCalibrate is to ensure all users are generating great data No matter if using TopSpin or IconNMR, be they beginner or expert spectroscopists.

Pulse Calibration

通过维持质子和碳脉冲长度,我们确保收集的所有NMR数据中的大多数都是以最高的信号为噪声和最少的伪影。检查脉冲长度是用自动校准自动化的,更新脉冲表并以每日报告的形式生成更新信息。上床睡觉,醒来进行校准的脉冲!这再容易了。

温度Calibration

Maintaining constant and accurate temperature will ensure stable chemical shifts and fewer artifacts in complex spectra. AutoCalibrate will set the proper flow rate, calibrate the heater power, and correct the temperature.

Shim Calibration

Creating a basis 3D shim plot for the AutoCalibrate standard sample enables faster and more accurate 1D shimming on user’s samples as well as troubleshooting information

量化

The AutoCalibrate sample contains a very accurate amount of DSS, 0.5mM specifically. Using this material, we can test qNMR response and calibrate against it for determination of accuracy.

Specyfikacje

Pulse Calibration

Parameter Behavior
Proton 90° Pulse

使用水信号,自动校准执行5点阵列以确定最佳的360°脉冲,并与Prosol Table预期的360°脉冲进行比较。

  • Deviation ≤5% = Nothing
  • Deviation >5% = Corrected Prosol table
  • Deviation ≥10% = Alert to user to manually check Prosol entry with proton sensitivity standard
Carbon 90° Pulse

使用DSS 13C卫星自动校准执行3点阵列,以确定最佳的90°脉冲,并与Prosol Table预期的90°脉冲进行比较。

  • 偏差≤20%=没有
  • Deviation >20% = Alert to user to manually check Prosol entry with carbon sensitivity standard

温度

Parameter Behavior
温度298K

  • 自动校准如果存在,则打开冷却器,并试图达到298K。
    - 如果系统遇到麻烦,它将移至303K
    - If the system STILL has trouble, it will move to 305K.
  • AutoCalibrate will measure the current VT gas flow and correct to value found in PICS for the current installed probe.
  • 然后,自动校准将进行自我调整,然后重新锁定样品。
  • Lastly, AutoCalibrate will determine the temperature using the chemical shift of the DSS peak relative to the D2O lock frequency.

如果测得的温度从298K偏离> 0.1K,则使用测量的开始温度生成新的温度校正曲线,然后Stat Temp + 5K

颤抖

Parameter Behavior
3D shimming

AutoCalibrate will run a 3D shim. It will save good shim file after testing linewidth to be certain shimming was successful.

  • Criteria for linewidth of DSS signal ≤ 2Hz
  • TopShim maps will be stored for use in troubleshooting if needed
  • 确定的Z偏移校正

qNMR

Parameter Behavior
qNMR test


AutoCalibrate will use the PROF1H parameter set to measure the concentration of DSS and ensure it is 0.5mM. This can then be used with ERETIC II routine and the PROF1H parameter set to measure the concentration of unknowns.

  • Deviation of ≥25% of 0.5mM = alert to user to test all user defined ERETIC II calibration values for other parameter sets.

WSPARCIE

Labscape

Service & Life Cycle Support for Magnetic Resonance and Preclinical Imaging

Bruker’s commitment to provide customers with unparalleled help throughout the buying cycle, from initial inquiry to evaluation, installation, and the lifetime of the instrument is now characterized by the LabScape service concept.

LabScape Maintenance Agreements, On-Site On-Demand and Enhance Your Lab are designed to offer a new approach to maintenance and service for the modern laboratory