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add scan filters to readXICs() about rawdiag HOT 3 OPEN

fgcz avatar fgcz commented on September 27, 2024
add scan filters to readXICs()

from rawdiag.

Comments (3)

tobiasko avatar tobiasko commented on September 27, 2024

The same applies for RT limits. see

"creating custom chromatograms"

in UsingRawFileReader

from rawdiag.

tobiasko avatar tobiasko commented on September 27, 2024

We should also adapt the XIC object structure. Currently we return

> str(X[[1]])
List of 4
 $ mass       : num 487
 $ times      : num [1:998] 0.604 0.631 0.659 0.685 0.688 ...
 $ intensities: num [1:998] 565 1684 704 13480 6214 ...
 $ filename   : chr "20180717_006_tSIM_demo.raw"
 - attr(*, "class")= chr [1:2] "list" "XIC"
> otype(X[[1]])
[1] "S3"
> class(X[[1]])
[1] "list" "XIC"

without attributes for tolerance, RT limits, scan filters used to construct the object.

from rawdiag.

tobiasko avatar tobiasko commented on September 27, 2024

Another thing that comes to my mind: Is readXIC() a good name, or should it simply be XIC() like the class? This would follow the typical S3 constructor function style.

from rawdiag.

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