PCMW2D
Perturbation-Correlation Moving-Window Two-Dimensional (PCMW2D) Correlation Spectroscopy
Computational calculation using the 2DShige software
(1) Prepare a csv formatted file which can be open by 2DShige software.
The first column (yellow cells) should be spectral variables (e.g., wavenumber, wavelength, etc.).
The first row (blue cells) should be perturbation variables (e.g., time, temperature, etc.).
Spectral data (e.g., absorbance, emission intensity, etc.) should be placed in the cells between the spectral variables and the perturbation variables (orange cells).
The cell at R1C1 (white cell) must be empty.
(2) Create a new row between 1st and 2nd rows. Copy perturbation variables from the 1st row. Paste the perturbation variables into the new created row. Input a certain number in the R2C1 cell (purple), here, R2C1 = 999, since the spectral variable starts from 1000 (R3C1) with increment by 1. This value (R2C1) depends on the spectral variables.
Following illustration depicts an image of the spread sheet for the PCMW2D correlation analysis. Perturbation variables colored by blue are located at 999.
(3) Start the 2DShige software, and open the created data file.
(4) menu > process > moving window
(5) slice at = 999 (the number in the R2C1 cell).
(6) click save button, and then you can save correlations data into a csv formatted file.
Publications (Theory)
Perturbation-Correlation Moving-Window Two-Dimensional Correlation Spectroscopy
Shigeaki Morita, Hideyuki Shinzawa, Isao Noda, Yukihiro Ozaki
Applied Spectroscopy, 60, 398-406, (2006).
Shigeaki Morita, Hideyuki Shinzawa, Roumiana Tsenkova, Isao Noda, Yukihiro Ozaki
Journal of Molecular Structure, 799, 111-120, (2006).
Effect of Band Position Shift on Moving-Window Two-Dimensional Correlation Spectroscopy
Shigeaki Morita, Hideyuki Shinzawa, Isao Noda, Yukihiro Ozaki
Journal of Molecular Structure, 799, 16-22, (2006).
Effect of the Window Size in Moving-Window Two-Dimensional Correlation Analysis
Hideyuki Shinzawa, Shigeaki Morita, Isao Noda, Yukihiro Ozaki
Journal of Molecular Structure, 799, 28-33, (2006).
Shigeaki Morita, Masaru Tanaka, Isao Noda, Yukihiro Ozaki
Applied Spectroscopy, 61, 867-872, (2007).
Shigeaki Morita, Kuniyuki Kitagawa
Vibrational Spectroscopy, 60, 217-219, (2012).
Publications (Application)
Akihiko Watanabe, Shigeaki Morita, Yukihiro Ozaki
Biomacromolecules, 7, 3164-3170, (2006).
Akihiko Watanabe, Shigeaki Morita, Yukihiro Ozaki
Biomacromolecules, 8, 2969-2975, (2007).
Christian Vogel, Shigeaki Morita, Harumi Sato, Isao Noda, Yukihiro Ozaki, Heinz W. Siesler
Applied Spectroscopy, 61, 755-764, (2007).
Shigeaki Morita, Kuniyuki Kitagawa, Isao Noda, Yukihiro Ozaki
Journal of Molecular Structure, 883-884, 181-186, (2008).
Miriam Unger, Shigeaki Morita, Harumi Sato, Yukihiro Ozaki, Heinz W. Siesler
Applied Spectroscopy, 63, 1027-1033, (2009).
Miriam Unger, Shigeaki Morita, Harumi Sato, Yukihiro Ozaki, Heinz W. Siesler
Applied Spectroscopy, 63, 1034-1040, (2009).
Shigeaki Morita, Kuniyuki Kitagawa
Journal of Molecular Structure, 974, 56-59, (2010).