group—mzclust

[yuan596]

Hi，I want to group the peaks by using the mzClust algorithm.But I found some differences between the algorithm introduced in reference and codes.And I want to ask some question：

1. Where is the “R_mzClust_hclust” ?
2. What is the “last cluster in C” ? 3.In the mz_clust codes, why is it “if(binclust != 1)” instead of “ if(binclust == 0)” ?[

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[sneumann]

Hi, thanks for looking into this ! To find the code, you can use the great github search: https://github.com/sneumann/xcms/search?q=R_mzClust_hclust to find it. If there are discrepancies, you could consider writing a unit test function to create mockup data and check the expected output. Yours, Steffen

[yuan596]

Hi,thank you for your reply. I will try to write a function to test the codes. But how can l use 'mzClust_hclust.c' in 'mzClust.R' ?

[sneumann]

The R function .C() is calling into a function written in the C language: .C("R_mzClust_hclust", ...) For the concepts please check out e.g. https://pj.freefaculty.org/guides/Rcourse/ffi-1/ffi-1.pdf or the R manual https://cran.r-project.org/doc/manuals/r-release/R-exts.html#System-and-foreign-language-interfaces Yours, Steffen

[yuan596]

Thank you!

[yuan596]

Hi,when I used mzClust.R ,error occurred: