Centroided ITMS (ion trap) cans not recognized

[dzolg]

Don't know if it ever was intended to work on ITMS data, however trying to get the peaklist of a Fusion Lumos ion trap scan always results in the following error:

Example scan:
Scan Mode: ITMS + c NSI r d Full ms2 407.22@hcd28.00 [100.00-825.00]

extract <- readScans(rawfile = rawfile), c(10638))
# No centroid stream available

Cheers Daniel

[cpanse]

mixing centroid and profile stream

TODO(cp): if no centroid stream is available insert an NA element.

R> xx <- readScans('/Users/cp//raw/180627_BSA_ACC_50fmol_R2.raw', scans = c(18821, 18832, 18821))
# No centroid stream available
# No centroid stream available
R> xx
[[1]]
$scan
[1] 18832

$rtinseconds
[1] 1023.35

$pepmass
[1]   417.2122 74677.0000

$title
[1] "File: 180627_BSA_ACC_50fmol_R2.raw; SpectrumID: ; scans: 18832"

$charge
[1] 3

$mZ
 [1] 100.3362 102.0574 110.0744 115.1071 120.0649 120.0744 120.0853 124.3232 129.0950 129.1073 140.1505
[12] 147.1064 147.1177 194.2655 201.1105 201.1343 285.1153 285.1469 294.1954 417.1804 431.2106 488.2720
[23] 560.2335 560.3350 600.2833 698.5928 746.2614 746.4318 859.3582

$intensity
 [1]  5443.471  6456.144 10592.354  7559.947  5255.708 38532.387 74677.000  7777.826 37941.840 72247.664
[11]  7553.341  8930.200 15827.687  8044.920 31152.357 44699.199 10253.352  9838.970 10893.082 11828.059
[21] 14430.847 10447.616 11627.857 15052.438  9356.620 12023.092 37841.012 45061.613  9663.162

attr(,"class")
[1] "list"     "peaklist"

R> 

[cpanse]

commit c046a13fe6c924794a5541a3e12c249a737f6edc