UNIFI Binary Compare fails to recognize uncommon peaks between reference and unknown samples - WKB117509

SYMPTOMS

• UNIFI Binary Compare fails to recognize uncommon (unique to reference/unique to unknown) peaks between reference and unknown samples. One of the methods used to screen for compounds in E&L applications is to "subtract" a reference from an unknown by employing binary compare and looking for compounds either unique to the unknown or elevated in the unknown. On the occasions where a compound appears to be elevated in a unknown, binary compare can be fooled if there are two components that are close in m/z and retention time, as shown in the screen shot below.

ENVIRONMENT

• UNIFI 1.9.2
• UNIFI 1.9.4

CAUSE

The matching has been performed incorrectly for the highlighted components (see image above in SYMPTOMS), so the result is misleading (especially if looking for those components elevated in the unknown). This is also applicable in cases where the compound has been identified in both reference and unknown samples; the same behavior may be observed. 
 

FIX or WORKAROUND

There is currently no workable way around this issue; the binary compare algorithm itself would need to be addressed to achieve more accurate results.
 

ADDITIONAL INFORMATION

An enhancement ticket has been raised for this issue.