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Search Publications by: Stephen E. Stein (Fed)

Displaying 176 - 191 of 191

The Critical Evaluation of a Comprehensive Mass Spectral Library

August 1, 1999

Author(s)

P Ausloos, C L. Clifton, S G. Lias, Anzor I. Mikaia, Stephen Stein, Dmitrii Tchekhovskoi, O D. Sparkman, Vladimir G. Zaikin, D Zhu

A description of the methods used to build a high quality, comprehensive reference library of electron-ionization mass spectra is presented. Emphasis is placed on the most challenging part of this project the improvement of quality by expert evaluation

The critical evaluation of a comprehensive mass spectral library

March 15, 1999

Author(s)

C L. Clifton, S G. Lias, Anzor I. Mikaia, Stephen Stein, Dmitrii Tchekhovskoi, O D. Sparkman, Vladimir G. Zaikin, Damo Zhu

A description of methods used to build a high quality, comprehensive reference library of EI mass spectra is presented

Quality Control Procedures for the NIST/EPA/NIH Mass Spectral Library

May 31, 1998

Author(s)

C L. Clifton, S G. Lias, Anzor I. Mikaia, O D. Sparkman, Stephen Stein, Dmitrii Tchekhovskoi, Damo Zhu, Vladimir G. Zaikin

The goal of quality control procedures is to produce the best possible spectra for library searching. The role of a panel of data evaluators is presented, and the plans for further improvements of the NIST/EPA/NIH mass spectral library is presented.

The NIST/EPA/NIH mass spectral database: simultaneous control of quality and quantity

June 1, 1997

Author(s)

S G. Lias, Anzor I. Mikaia, O D. Sparkman, Stephen Stein, Vladimir G. Zaikin

Achievements in the development of the NIST/EPA/NIH mass spectral library is reported. Statistical data on the content of the library is presented,the quality control procedures are described, the roles of computer methods and manual procedures in data

The evaluation of a comprehensive MS reference library

May 21, 1995

Author(s)

Vladimir G. Zaikin, C L. Clifton, S G. Lias, Anzor I. Mikaia, Stephen Stein, O D. Sparkman

Step-by-step procedures of spectra evaluation in the NIST/NIH/EPA mass spectral library is presented. The criteria for data inclusion to the library are discussed. Detailed analysis of manual evaluation factors are given.

Problems and progress in the measurement of reference mass spectra

May 29, 1994

Author(s)

C L. Clifton, Anzor I. Mikaia, Stephen Stein

Compounds of interest and their availability as well as purity of the samples in the market are discussed. Difficulties in acquiring samples of common chemicals are noted. Sample preparation procedures for GC-MS analysis along with the instrumental

Classification and treatment of errors in reference mass spectra

February 27, 1994

Author(s)

Anzor I. Mikaia, S G. Lias, Stephen E. Stein

Requirements to reference spectra and criteria for mass spectrum inclusion, modification and deletion are developed as a result of evaluation of thousands of spectra and analysis of encountered errors. Errors due to a sample, device and operator, data

The control of quality in a comprehensive mass spectral library

May 30, 1993

Author(s)

Anzor I. Mikaia, S G. Lias, Stephen E. Stein

Computer generated "Quality Index" for the selection of spectra for the inclusion to the NIST/EPA/NIH mass spectral library is abandoned. We have undertaken a program to manually examine all spectra in the database. Suspect spectra are first examined to