Data pre-processing in liquid chromatography-mass spectrometry-based proteomics.
BACKGROUND
In a liquid chromatography-mass spectrometry (LC-MS)-based expressional proteomics, multiple samples from different groups are analyzed in parallel. It is necessary to develop a data mining system to perform peak quantification, peak alignment and data quality assurance.


RESULTS
We have developed an algorithm for spectrum deconvolution. A two-step alignment algorithm is proposed for recognizing peaks generated by the same peptide but detected in different samples. The quality of LC-MS data is evaluated using statistical tests and alignment quality tests.


BACKGROUND
Xalign software is available upon request from the author.
Zhang
Xiang
X
Bindley Bioscience Center, Purdue University West Lafayette, IN, USA. zhang100@purdue.edu
Asara
John M
JM
Adamec
Jiri
J
Ouzzani
Mourad
M
Elmagarmid
Ahmed K
AK
D000465:Algorithms; D001185:Artificial Intelligence; D002853:Chromatography, Liquid / Q000379:methods*; D003628:Database Management Systems; D030562:Databases, Protein; D003936:Diagnosis, Computer-Assisted / Q000379:methods; D020869:Gene Expression Profiling / Q000379:methods; D006801:Humans; D016247:Information Storage and Retrieval / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods*; D010449:Peptide Mapping / Q000379:methods*; D011506:Proteins / Q000032:analysis / Q000737:chemistry*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D020539:Sequence Analysis, Protein / Q000379:methods*
D011506:Proteins