数字信号处理技术在NMR中的应用
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摘要
数字信号处理(DSP)是构成21世纪科学工程最有力的技术之一。非常成熟的数字信号处理技术已经应用在核磁共振(NMR)领域，并形成了自己的算法、数学理论和特殊的技术。本文将介绍一些数字信号处理技术在NMR中的应用。
本文首先介绍了数字信号处理器在核磁共振谱仪升级改造中的应用。我们分别用单板ADSP系统改造了XL-200核磁共振谱仪计算机系统，用LIBRA系统自制了一台200MHz固体、液体两用核磁共振谱仪，以及用多DSP系统改造了MSL-400和AC-80的控制台。并比较了这三种系统的数据采集与处理系统的原理、特点及优缺点。现在这些谱仪在实验室工作正常，测试表明其良好的性能和先进的功能都达到了预期的结果。
同时介绍了一种数字信号处理算法——参考反转卷积算法在核磁共振波谱学中的应用。本文介绍了参考反转卷积算法的原理与基本算法，并且用Visual C++编程实现了该算法，矫正了谱图的线型、提高了谱图的分辨率。
Digital Signal Processing(DSP) is one of the most powerful techniques that will shape science and engineering in the twenty-first century. It has developed a deep DSP technology, with its own algorithms, mathematics, and specialized techniques in NMR area. In this dissertation, some applications of digital signal processing technique in Nuclear Magnetic Resonance are introduced.
By using the Digital Signal Processor, a project for updating NMR spectrometer was implemented. The ADSP system was used to update the computer system of XL-200 spectrometer, the LIBRA system was the main part of a home-build NMR spectrometer for both solids and liquids, and the multiple DSP system was used to digitize the consoles of MSL-400 and AC-80. Now these spectrometers work well in our lab, and test results show that their good performance and advanced functions meet the requirements as expected.
Furthermore, a kind of digital signal processing algorithm, reference deconvolution, was described. The principle and basic algorithm was stated, and we used Visual C++ to realize the algorithm to correct the lineshape and enhance the resolution of spectra.
本文首先介绍了数字信号处理器在核磁共振谱仪升级改造中的应用。我们分别用单板ADSP系统改造了XL-200核磁共振谱仪计算机系统，用LIBRA系统自制了一台200MHz固体、液体两用核磁共振谱仪，以及用多DSP系统改造了MSL-400和AC-80的控制台。并比较了这三种系统的数据采集与处理系统的原理、特点及优缺点。现在这些谱仪在实验室工作正常，测试表明其良好的性能和先进的功能都达到了预期的结果。
同时介绍了一种数字信号处理算法——参考反转卷积算法在核磁共振波谱学中的应用。本文介绍了参考反转卷积算法的原理与基本算法，并且用Visual C++编程实现了该算法，矫正了谱图的线型、提高了谱图的分辨率。
Digital Signal Processing(DSP) is one of the most powerful techniques that will shape science and engineering in the twenty-first century. It has developed a deep DSP technology, with its own algorithms, mathematics, and specialized techniques in NMR area. In this dissertation, some applications of digital signal processing technique in Nuclear Magnetic Resonance are introduced.
By using the Digital Signal Processor, a project for updating NMR spectrometer was implemented. The ADSP system was used to update the computer system of XL-200 spectrometer, the LIBRA system was the main part of a home-build NMR spectrometer for both solids and liquids, and the multiple DSP system was used to digitize the consoles of MSL-400 and AC-80. Now these spectrometers work well in our lab, and test results show that their good performance and advanced functions meet the requirements as expected.
Furthermore, a kind of digital signal processing algorithm, reference deconvolution, was described. The principle and basic algorithm was stated, and we used Visual C++ to realize the algorithm to correct the lineshape and enhance the resolution of spectra.
引文
1．裘祖文，裴奉奎，《核磁共振波谱》，第一版，科学出版社，1989
2．王金山，《核磁共振波谱仪与实验技术》，第一版，机械工业出版社，1982
3. C.P. Slichter, Principles of Magnetic Resonance, 2nd revised edition, Heidelberg, Springer-Verlag, 1978
4. R.R. Ernst, G. Bodenhausen, A. Wokaun, Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford, UK, 1987
5．毛希安，《核磁共振基础简论》，科学出版社，1996
6. David M. Grant, Robin K. Harris, Encyclopaediaof nuclearmagnetic resonance[J]. John Wiley & Sons, Vol.7, 4505
7. J. A. Timonthy, A modern NMR spectrometer with high-end functionality[J], American Laboratory, 17J, Oct
8. J. W. Cooley and J. W. Turkey, An Algorithm for the Machine Computation of Complex Fourier Series, Math. Comp., 19, 1955, 297-301
9. G. D. Bergland, A Guided Tour of the Fast Fourier Transform, IEEE spectrum, 6,No. 7, 41-52, 1969
10. J.W. Cooley , P. Lewis and P. D. Welch, Historical Notesonthe Fast Fourier Transform, IEEE Trans. on Audio and Electroacoustics, 15, No. 2, 76-79, June, 1967
11. George C. Levy, Deborah J. Kerwood, & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance. Data Processing, Vol. 3, 1548-1558.
12. Steven W. Smith, the Scientist and Engineer' s Guide to Digital Signal Processing, Second Edition, California Technical Publishing, San Diego, California, 1999
13. L. R. Rabiner and B. Gold, Theory and Application of Digital Signal Processing, Prentice-Hall, 1975
14. A V. Oppenheim and R. W. Schafer, Digital Signal Processing, Prentice-Hall Inc., Englewood Cliffs, N. J, 1975
15. B. Gold and C. M. Rader, Digital Signal Processing of Signals, McGraw-Hill Book Co., New York, 1969
16．王世一，《数字信号处理》，北京理工大学出版社，1995
17．韩汝水，隋启水，《信号微处理机极其应用》，国防工业出版社，1986
18．陈健，DSP发展与应用纵横谈，电子产品世界，1998年7月刊，31-32
19．刘荣，DSP技术的现状及发展，电子技术应用，1999年第四期，7-10
1. George C. Levy, Deborah J. Kerwood & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance. Data Processing, Vol. 3, 1548-1558.
2．谭萍、刘朝阳等，DSP技术在核磁共振数据系统中的应用波谱学杂志，Vol．17，No．2，167-172(2000)
3. ADSP-21020 User's Manual, Analog Device, 1996
4．GK-ADSP21020开发／高速处理板使用说明书
5. Steven W. Smith, the Scientist and Engineer's Guide to Digital Signal Processing, Second Edition, California Technical Publishing, San Diego, California, 1999
6．王世一，《数字信号处理》，北京理工大学出版社，1995
7．裘祖文，裴奉奎，《核磁共振波谱》，第一版，科学出版社，1989
8. R. R. Ernst, G. Bodenhausen, and A. Wokaun, Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford, UK, 1987
9．毛希安，《现代核磁共振实用技术及应用》，第一版，科学文献出版社，2000
1．张岩、曾凡明、裘鉴卿、叶朝辉，自制固体液体两用核磁共振谱仪，分析测试技术与仪器，Vol．5，No．1(1999)，2-4
2．张岩，中国科学院武汉物理与数学研究所博士论文，1999
3．刘朝阳、谭萍、裘鉴卿、叶朝辉，核磁共振谱仪数字接受机的原理与实现波谱学杂志，Vol．17，No．2，161-165(2000)
4. MacNMR 5.4 with NMR script (manual), Tecmag, 1996
5. Don Crabb, Guide to Macintosh system 7.5.5, naydeb Books, 1996
6. A. M. Gareth, J. Magn. Reson., 100(1992), 316
1．谭萍、刘朝阳等，DSP技术在核磁共振数据系统中的应用，波谱学杂志，Vol．17，No．2，167-172(2000)
2. HardWare Reference Manual, Tecmag, 1998
3．刘朝阳、谭萍等，Bruker MSL系列核磁谱仪的数字化改造，分析与测试技术与仪器，Vol．6，No．1，8-11(2000)
4．刘朝阳、谭萍等，核磁共振谱仪数字接收机的原理与实现，波谱学杂志，Vol．17，No．2，161-165(2000)
5．方可、周建威等，动态核极化谱仪的技术改造，波谱学杂志，Vol．17，No．2，259-263(2000)
6．张岩、曾凡明等，自制固液两用高分辨谱仪，分析与测试技术与仪器，Vol．5，No．1，2-4(1999)
1. Gareth A. Morris, Hervé Barjat, Timothy J. Horne, Reference deconvolution methods, Joural of Progress in Nuclear Magnetic Resonance Spectroscopy 31(1997) 191-257
2．裘祖文，裴奉奎，《核磁共振波谱》，第一版，科学出版社，1989
3．高汉宾，郑耀华，《简明核磁共振手册》，湖北科学技术出版社，1987
4. StevenW. Smith, the Scientist and Engineer's Guide to Digital Signal Processing , Second Edition, California Technical Publishing, San Diego, California, 1999
5. Johannes Slotboom, Chris Boesch, RolandKreis, Versatile Frequency Domain Fitting Using Time Domain Models and Prior Knowledge, MRM 39: 899-911(1998)
6. B.P.O. van Tongeren, R.D.C. Boxman, J.W. Deumens, J.P. van Leeuwen, A.F. Mehlkopf, D. van Ormondt, R. de Beer, Quansis, an objectoriented data-analysis system for in vivo NMR signal, J. Magn. Reson. Anal. 2, 75-84(1996)
7. M. Lupu, D. Todor, in: D.N. Rutledge(ed.).Signal Treatment and Data Analysis in NMR, Ch. 8. Vol. 18 of Data Handling in Science and Techlogy, Elsevier, Amsterdam, 1996.
8. George C. Levy, Deborah J. Kerwood, & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance[D]. Data Processig John Wiley &Sons, Vol. 3,1548-1558.
9．徐曼，邵剑林等，《c语言实用图像处理获取·处理·存贮》，第一版，海洋出版社，1992
10．王敏，韦诚，《Visua]C++程序员参考手册》，北京大学出版社，1995
11．程文斌，金相凤，《Visual C++实用大全》，第一版，北京航空航天大学出版社，1995
2．王金山，《核磁共振波谱仪与实验技术》，第一版，机械工业出版社，1982
3. C.P. Slichter, Principles of Magnetic Resonance, 2nd revised edition, Heidelberg, Springer-Verlag, 1978
4. R.R. Ernst, G. Bodenhausen, A. Wokaun, Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford, UK, 1987
5．毛希安，《核磁共振基础简论》，科学出版社，1996
6. David M. Grant, Robin K. Harris, Encyclopaediaof nuclearmagnetic resonance[J]. John Wiley & Sons, Vol.7, 4505
7. J. A. Timonthy, A modern NMR spectrometer with high-end functionality[J], American Laboratory, 17J, Oct
8. J. W. Cooley and J. W. Turkey, An Algorithm for the Machine Computation of Complex Fourier Series, Math. Comp., 19, 1955, 297-301
9. G. D. Bergland, A Guided Tour of the Fast Fourier Transform, IEEE spectrum, 6,No. 7, 41-52, 1969
10. J.W. Cooley , P. Lewis and P. D. Welch, Historical Notesonthe Fast Fourier Transform, IEEE Trans. on Audio and Electroacoustics, 15, No. 2, 76-79, June, 1967
11. George C. Levy, Deborah J. Kerwood, & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance. Data Processing, Vol. 3, 1548-1558.
12. Steven W. Smith, the Scientist and Engineer' s Guide to Digital Signal Processing, Second Edition, California Technical Publishing, San Diego, California, 1999
13. L. R. Rabiner and B. Gold, Theory and Application of Digital Signal Processing, Prentice-Hall, 1975
14. A V. Oppenheim and R. W. Schafer, Digital Signal Processing, Prentice-Hall Inc., Englewood Cliffs, N. J, 1975
15. B. Gold and C. M. Rader, Digital Signal Processing of Signals, McGraw-Hill Book Co., New York, 1969
16．王世一，《数字信号处理》，北京理工大学出版社，1995
17．韩汝水，隋启水，《信号微处理机极其应用》，国防工业出版社，1986
18．陈健，DSP发展与应用纵横谈，电子产品世界，1998年7月刊，31-32
19．刘荣，DSP技术的现状及发展，电子技术应用，1999年第四期，7-10
1. George C. Levy, Deborah J. Kerwood & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance. Data Processing, Vol. 3, 1548-1558.
2．谭萍、刘朝阳等，DSP技术在核磁共振数据系统中的应用波谱学杂志，Vol．17，No．2，167-172(2000)
3. ADSP-21020 User's Manual, Analog Device, 1996
4．GK-ADSP21020开发／高速处理板使用说明书
5. Steven W. Smith, the Scientist and Engineer's Guide to Digital Signal Processing, Second Edition, California Technical Publishing, San Diego, California, 1999
6．王世一，《数字信号处理》，北京理工大学出版社，1995
7．裘祖文，裴奉奎，《核磁共振波谱》，第一版，科学出版社，1989
8. R. R. Ernst, G. Bodenhausen, and A. Wokaun, Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford, UK, 1987
9．毛希安，《现代核磁共振实用技术及应用》，第一版，科学文献出版社，2000
1．张岩、曾凡明、裘鉴卿、叶朝辉，自制固体液体两用核磁共振谱仪，分析测试技术与仪器，Vol．5，No．1(1999)，2-4
2．张岩，中国科学院武汉物理与数学研究所博士论文，1999
3．刘朝阳、谭萍、裘鉴卿、叶朝辉，核磁共振谱仪数字接受机的原理与实现波谱学杂志，Vol．17，No．2，161-165(2000)
4. MacNMR 5.4 with NMR script (manual), Tecmag, 1996
5. Don Crabb, Guide to Macintosh system 7.5.5, naydeb Books, 1996
6. A. M. Gareth, J. Magn. Reson., 100(1992), 316
1．谭萍、刘朝阳等，DSP技术在核磁共振数据系统中的应用，波谱学杂志，Vol．17，No．2，167-172(2000)
2. HardWare Reference Manual, Tecmag, 1998
3．刘朝阳、谭萍等，Bruker MSL系列核磁谱仪的数字化改造，分析与测试技术与仪器，Vol．6，No．1，8-11(2000)
4．刘朝阳、谭萍等，核磁共振谱仪数字接收机的原理与实现，波谱学杂志，Vol．17，No．2，161-165(2000)
5．方可、周建威等，动态核极化谱仪的技术改造，波谱学杂志，Vol．17，No．2，259-263(2000)
6．张岩、曾凡明等，自制固液两用高分辨谱仪，分析与测试技术与仪器，Vol．5，No．1，2-4(1999)
1. Gareth A. Morris, Hervé Barjat, Timothy J. Horne, Reference deconvolution methods, Joural of Progress in Nuclear Magnetic Resonance Spectroscopy 31(1997) 191-257
2．裘祖文，裴奉奎，《核磁共振波谱》，第一版，科学出版社，1989
3．高汉宾，郑耀华，《简明核磁共振手册》，湖北科学技术出版社，1987
4. StevenW. Smith, the Scientist and Engineer's Guide to Digital Signal Processing , Second Edition, California Technical Publishing, San Diego, California, 1999
5. Johannes Slotboom, Chris Boesch, RolandKreis, Versatile Frequency Domain Fitting Using Time Domain Models and Prior Knowledge, MRM 39: 899-911(1998)
6. B.P.O. van Tongeren, R.D.C. Boxman, J.W. Deumens, J.P. van Leeuwen, A.F. Mehlkopf, D. van Ormondt, R. de Beer, Quansis, an objectoriented data-analysis system for in vivo NMR signal, J. Magn. Reson. Anal. 2, 75-84(1996)
7. M. Lupu, D. Todor, in: D.N. Rutledge(ed.).Signal Treatment and Data Analysis in NMR, Ch. 8. Vol. 18 of Data Handling in Science and Techlogy, Elsevier, Amsterdam, 1996.
8. George C. Levy, Deborah J. Kerwood, & Muppirala Ravikumar, Encyclopaedia of nuclear magnetic resonance[D]. Data Processig John Wiley &Sons, Vol. 3,1548-1558.
9．徐曼，邵剑林等，《c语言实用图像处理获取·处理·存贮》，第一版，海洋出版社，1992
10．王敏，韦诚，《Visua]C++程序员参考手册》，北京大学出版社，1995
11．程文斌，金相凤，《Visual C++实用大全》，第一版，北京航空航天大学出版社，1995