NNLSF: A fast and informative fitting method for XANES chemical mapping analysis

Shun Yao, Cheng Chang, Wei Xu, Naiyun Zhou, Yu Chen Karen Chen-Wiegart, Jiajun Wang, Jun Wang, Dantong Yu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

Abstract

Full field X-ray spectroscopy imaging in NSLS-II will provide unprecedented insights into 2D/3D chemical compositions of nanomaterials. Spectra fitting which decomposes the experimental spectra data into chemical compositions plays a key role in the technique. Existing fitting methods including Brute Force (BF) and Constrained Least Square Fitting (CLSF) rest upon fitting fractions and suffer two problems: 1) loss of the thickness information; 2) demands for filtering. In this paper, we propose a new fitting method Non-Negative Least Square Fitting (NNLSF), which directly fit thicknesses instead of fractions. Our experiments in both simulation and real datasets show that, NNLSF 1) provides more information in fitting results than current approaches, 2) saves the efforts of filtering, and also 3) is 6∼96 times faster than alternatives. All the methods (BF, CLSF, NNLSF) were implemented as open-source software with a friendly GUI.

Original languageEnglish (US)
Title of host publication2015 IEEE 12th International Symposium on Biomedical Imaging, ISBI 2015
PublisherIEEE Computer Society
Pages1155-1158
Number of pages4
ISBN (Electronic)9781479923748
DOIs
StatePublished - Jul 21 2015
Externally publishedYes
Event12th IEEE International Symposium on Biomedical Imaging, ISBI 2015 - Brooklyn, United States
Duration: Apr 16 2015Apr 19 2015

Publication series

NameProceedings - International Symposium on Biomedical Imaging
Volume2015-July
ISSN (Print)1945-7928
ISSN (Electronic)1945-8452

Other

Other12th IEEE International Symposium on Biomedical Imaging, ISBI 2015
CountryUnited States
CityBrooklyn
Period4/16/154/19/15

All Science Journal Classification (ASJC) codes

  • Biomedical Engineering
  • Radiology Nuclear Medicine and imaging

Keywords

  • NSLS-II
  • XANES
  • chemical mapping
  • non-negative least square fitting

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