Search found 8 matches
- October 7th, 2020, 3:16 am
- Forum: How-To Questions & Answers
- Topic: Binning of low-res Agilent MSD-data?
- Replies: 1
- Views: 5569
Binning of low-res Agilent MSD-data?
Hi! We are collecting GCxGC data using our Agilent MSD, but are having issues with importing the data and library searches. For example, 1-methylnaphthalene has a base peak which is reported as 141.25 in Masshunter. When imported to GC Image, this is rounded to 141.5 which is further rounded to 142 ...
- February 27th, 2020, 2:58 am
- Forum: How-To Questions & Answers
- Topic: Average blob tables from experimental replicates?
- Replies: 1
- Views: 12162
Average blob tables from experimental replicates?
Hi!
Is it possible to generate an average blob table based on multiple experimental replicates, and with filtering (i.e. keep only blobs present in 2/3 replicates etc)? I've looked through the reporting options in GC Projects but haven't been able to find an easy way.
Is it possible to generate an average blob table based on multiple experimental replicates, and with filtering (i.e. keep only blobs present in 2/3 replicates etc)? I've looked through the reporting options in GC Projects but haven't been able to find an easy way.
- October 31st, 2019, 8:15 am
- Forum: How-To Questions & Answers
- Topic: Possible to extract hit mass spec from NIST to blob table?
- Replies: 3
- Views: 12676
Re: Possible to extract hit mass spec from NIST to blob table?
Thanks for the reply, Is there some sort of documentation on how to access NIST from a custom plugin? I've tried to call nistms$.exe from my data processing script before, but the only result I can obtain from the resulting SRCRESLT.TXT is ; Hit 1 : <<(1S,14S)-Bicyclo[12.10.0]-3,6,9,12,15,18,21,24-o...
- October 25th, 2019, 5:03 am
- Forum: How-To Questions & Answers
- Topic: Possible to extract hit mass spec from NIST to blob table?
- Replies: 3
- Views: 12676
Possible to extract hit mass spec from NIST to blob table?
I'm working on some external data mining scripts for GCxGC data, and wonder if it's possible to extract more information from the NIST library than the blob table shows? Ideally I would like to have the library hit mass spectra in string format. Would also be interesting to have access to the InChiK...
- September 12th, 2019, 1:40 am
- Forum: How-To Questions & Answers
- Topic: MSSTRING() and decimals
- Replies: 3
- Views: 14113
Re: MSSTRING() and decimals
The m/z values show .0 as decimal, with MS Data Binning is set to Integer intervals. The data have been collected with in both profile and centroid mode, and we can see both when looking at blobs/pixels... Is there someway you can force import to only include the centroid spectra? I have attached sc...
- September 9th, 2019, 2:51 am
- Forum: How-To Questions & Answers
- Topic: MSSTRING() and decimals
- Replies: 3
- Views: 14113
MSSTRING() and decimals
Hi! I'm trying to export a blob table which includes the mass spectra in text format using MSSTRING() with a CLIC-expression. It works, however it only exports the mz values with 1 decimal. I'm using the mzDecimal option, i.e. full command is MSSTRING("mzDecimal=4") as described in the man...
- August 27th, 2019, 12:58 am
- Forum: How-To Questions & Answers
- Topic: Automatic/batch library search?
- Replies: 3
- Views: 12534
Re: Automatic/batch library search?
Cool. thanks! That works for me.
Follow up question, is it possible to do batch internal mass calibration on HRMS data?
Follow up question, is it possible to do batch internal mass calibration on HRMS data?
- August 26th, 2019, 4:35 am
- Forum: How-To Questions & Answers
- Topic: Automatic/batch library search?
- Replies: 3
- Views: 12534
Automatic/batch library search?
Hi! I want to perform automated blob detection _and_ library search for several samples in a batch, but cannot figure out how... Within the Method editor, there is only the option of blob detection. I have looked around in the Projects function but cannot find anywhere to define library searching ei...