Search found 202 matches

by qtao
February 12th, 2024, 3:34 pm
Forum: How-To Questions & Answers
Topic: FID Chromatogram - Peak Area
Replies: 7
Views: 4595

Re: FID Chromatogram - Peak Area

Blob Set Table has a Residual group that reports aggregated values for all peaks that are not part of user-defined groups. For total responses, Go to View > Blob Set Table menu to open the table, and check the Volume (Total) column.
by qtao
January 11th, 2024, 11:27 am
Forum: How-To Questions & Answers
Topic: Library search - NIST MS search
Replies: 3
Views: 1770

Re: Library search - NIST MS search

FYI, Batch search mode only supports the settings shown in the GC Image configurations. For other settings available in the NIST MS Search program, it uses default values. Interactive mode calls the NIST MS Search program directly, so all settings are supported. However, Interactive mode is much slo...
by qtao
January 9th, 2024, 12:17 pm
Forum: How-To Questions & Answers
Topic: Library search - NIST MS search
Replies: 3
Views: 1770

Re: Library search - NIST MS search

Which version of NIST Library are you using?

Note that NIST23 MS Search program groups hits with the same CAS number, which makes the same hit list to look different.
by qtao
October 23rd, 2023, 10:39 am
Forum: How-To Questions & Answers
Topic: FID Chromatogram - Peak Area
Replies: 7
Views: 4595

Re: FID Chromatogram - Peak Area

If you let the software perform blob detection automatically, the blob boundary is automatically determined, and is reproducible if the same settings are used on the same data. If you choose to draw blob boundary manually (aka, manual integration), the software takes it as-is. If you only want to ch...
by qtao
October 18th, 2023, 11:18 am
Forum: How-To Questions & Answers
Topic: FID Chromatogram - Peak Area
Replies: 7
Views: 4595

Re: FID Chromatogram - Peak Area

When a blob is manually drawn, the software takes the exact region drawn as the integration window for the blob. So, the bigger the region was drawn, the larger the volume. With recent versions, there is a Detect/Edit Blob mode, which allows you to double click a peak location to perform a local blo...
by qtao
October 17th, 2023, 9:28 am
Forum: How-To Questions & Answers
Topic: FID Chromatogram - Peak Area
Replies: 7
Views: 4595

Re: FID Chromatogram - Peak Area

The most common way is through Blobs. Area graphics are for manual integration.

Also, in Blob Table, Area is the number of data points of the peak. Volume is the total response of the peak. See here for the terms
by qtao
September 7th, 2023, 3:11 pm
Forum: How-To Questions & Answers
Topic: Blob analysis - chemometrics
Replies: 5
Views: 2893

Re: Blob analysis - chemometrics

Raw and unprocessed intensity values for mass spec should be positive. Negative intensities usually result from some baseline correction or subtraction. By default, our software performs baseline correction on all MS channels. So you will see negative intensities. You may filter negative intensities...
by qtao
September 5th, 2023, 8:09 pm
Forum: How-To Questions & Answers
Topic: Blob analysis - chemometrics
Replies: 5
Views: 2893

Re: Blob analysis - chemometrics

For mzXML, the software does write out the 1D retention times. You may convert them back to 2D retention times if start time and modulation period are known. For example,

Code: Select all

RT2 = (rt - start time) % modulation period
RT1 = rt - RT2
Note that the above does not work for variable modulation.
by qtao
September 5th, 2023, 8:05 pm
Forum: How-To Questions & Answers
Topic: NIST MS search installation
Replies: 2
Views: 1743

Re: NIST MS search installation

No, you don't need to install the NIST Demo if a NIST library is already installed. To use the installed NIST library, go to Configure > Settings > Library Search , then click on the Auto Locate button. The software should locate the NIST installation automatically. If not, you may use the Browse bu...
by qtao
August 30th, 2023, 6:03 pm
Forum: How-To Questions & Answers
Topic: Blob analysis - chemometrics
Replies: 5
Views: 2893

Re: Blob analysis - chemometrics

For exporting the m/z-intensity raw data array, it may also be done with an Export Image plugin.

Contact support for more details.