I had a question come across my desk from a user who is looking to re-quantify hundreds of spectrum. His concerns - aside from the time to re-Quant hundreds of spectra manually - were the risk of incorrectly identified elements, unidentified elements and so forth. If one person has a question, then usually others do as well. Here were some of my tips for reprocessing large numbers of spectra.
Force include / exclude elements
1. Right click on the element, and you can choose “always included” or “always excluded.” Set your Tc, Hf, etc. to always excluded. These will never be identified. Then you can allow the Auto ID to choose your elements and/or you can choose some or all of your desired element by making them “always included.”
2. Turn Auto Quant on.
2. Choose your match library and select “Auto Match”
3. Run Batch processing. This should be in a file menu up at the top of the screen. For the Batch process, it will ask you to choose your spectrum of interest (several hundred may be selected) and then it will run all of these in sequence. It should then output the results to a *.csv file. It is what you see is what you get, so if you choose %wt, %at, etc. those will show up in the excel file. You should be able to then do all of this work in excel in a nice neat table format. Additionally, the next time you click on a spectrum, it will be processed as you just batch processed.
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