Computers in Analytical Chemistry, 1970 Progress in Analytical Chemistry Series, Vol. 176

The analytical chemist is in the forefront of the race to use computers in laboratory work. The modern laboratory has a large number of instruments churning out information, and mechanized procedures for handling the huge amount of data are imperative. The marriage of instruments and computers is offered as a way of easing the burden on the scientist, as well as optimiz­ ing the performance of the analytical instruments. Computer systems can be applied to all the major analytical instrument procedures, and many of the leading instrument manufacturers are developing and producing systems for use in the laboratory, both for data acquisition and for control purposes. It is, therefore, timely that the session on computers in analytical chem­ istry of the Eastern Analytical Symposium, held in November 1968, be published in this series, which has as its aim progress in analytical chemistry. The contents are wide-ranging and include applications to mass spectrometry, X-ray spectrography, nuclear magnetic resonance spectroscopy, gas chroma­ tography, infrared spectrography, the use of dedicated computers, and the multiple user laboratory. Thanks are due to the authors of the papers and to the session chairmen for their efforts in the production of this very worthwhile addition to the series.

I An Approach to a Multiple User Laboratory.- 1. An Approach to a Multiple User Laboratory Automation System.- 2. Division of Responsibilities.- 2.1. Instrument Data Reduction and Analysis.- 2.2. System Design and Implementation.- 2.3. System Operation and Maintenance.- 3. Automation of a Specific Instrument.- 3.1. Establishment of Capabilities and Objectives.- 3.2. Design of Hardware and Software.- 3.3. Hardware and Software Maintenance.- 4. Summary.- II Dedicated Computer in the Laboratory.- 1. General.- 2. Off-Line Computer.- 3. On-Line Computer.- 4. Functions of a Computer.- 5. Advantages.- III Real-Time High-Resolution Mass Spectrometry.- 1. Introduction.- 2. Experimental.- 3. System Evaluation.- 3.1. Calculation of N.- 3.2. Mass Measurement Accuracy.- 3.3. Intensity Measurement Precision and Accuracy.- 4. Applications to Organic Analysis.- Conclusions.- References.- IV A Computer Controlled X-ray Spectrograph.- 1. Introduction.- 2. Equipment.- 3. Operating Variables.- 3.1. X-ray Tube.- 3.2. Sample.- 3.3 Goniometer Setting (2?).- 3.4. Detector.- 3.5. Crystal.- 3.6. Collimator.- 4. Computer Program.- 5. Sample Preparation—Geological Materials.- 6. Comments.- References.- V Computer Interface and Digital Sweep for an NMR Spectrometer.- 1. Introduction.- 2. System Implementation.- 3. Detailed Circuit Description.- 4. Conclusion.- References.- VI Application of the Infotronics CRS—110/50 Computer Integrator Systems for On-Line GC Analyses.- 1. Introduction.- 2. Composite Integrator/Computer System.- 3. Modifications to the Basic System.- 4. Programing the Integrator-Computer System.- 5. System Flexibility — Conclusions.- VII On-Line Operation of a PE 621 Infrared Spectrophotometer— IBM/1800 Computer System.- 1. Introduction.- 2. System Components and Their Operation.- 2.1. PE 621 Infrared Spectrophotometer.- 2.2. Encoder Readout-Computer Interface.- 2.3. IBM/1800 System.- 2.4. Operation of the System.- 3. Data Processing.- 4. Research Applications.- 4.1. Measurement of Differential Spectra for Experiments on a Single Sample.- 4.2. Infrared Monitoring of a Reaction System.- 5. Comments.- Acknowledgment.- References.- VIII D... Computer, Where’s My Curve?.- References.