func main() {
var fileName string
var scannumber int
flag.IntVar(&scannumber, "sn", -1, "the scan number")
flag.StringVar(&fileName, "raw", "small.RAW", "name of the subject RAW file")
flag.Parse()
file, err := unthermo.Open(fileName)
if scannumber == -1 {
seed := time.Now().UnixNano()
r := rand.New(rand.NewSource(seed))
scannumber = r.Intn(file.NScans()) + 1
}
if err != nil {
log.Fatal(err)
}
defer file.Close()
spectrum := file.Scan(scannumber).Spectrum()
for _, peak := range spectrum {
fmt.Println(peak.Mz, peak.I)
}
}
func main() {
file, err := unthermo.Open(fileName)
if err != nil {
log.Fatal(err)
}
defer file.Close()
spectrum := file.ComputeMeanSpectrum()
for _, peak := range spectrum {
fmt.Println(peak.Mz, peak.I)
}
}
