Dealing with multiple molecules with the same total chain length and unsaturation

ahmohamed / lipidr

Data Mining and Analysis of Lipidomics datasets in R

https://www.lipidr.org/

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Dealing with multiple molecules with the same total chain length and unsaturation #20

Closed FernandoTobias closed 2 years ago

FernandoTobias commented 3 years ago

Is there a way to generate heat maps of isomeric lipids in a similar way as plot_chain_distribution(de_results)?

ahmohamed commented 3 years ago

Can you clarify what you want to visualize? Currently, plot_chain_distribution summarizes isomeric lipids and display a number indicating the number of molecules summarized. How do you think isomeric lipids can be plotted?

FernandoTobias commented 3 years ago

Hello -

At present, lipids species of the with the same total carbon # : double bond # ( PC (18:2_18:0) and PC (18:1_18:1) would be shown as an average between the two using plot_chain_distribution.

Is there a way to show them as separate points in a plot? I imagine it's possible. I have already indicated on my data_matrix.csv as two different species with an (1) or (2). For example, I have 5 PC lipids as PC (36:2) but are averaged as 1 in plot_chain_distribution

ahmohamed commented 2 years ago

Closing the issue, since I can't see any way to visualize all duplicates in the same plot. Feel free to reopen if you have any suggestions.