ORBITRAP automatic file processing

[info] Mandatory format of the input excel
  • Format ".xlsx"
  • Column "Filename"
  • Column "Area"
  • Column "Peak Label"
  • Filenames:
    • "CalCurve"
    • "MM"
    • "Blank"
    • "Recovery"
    Every other filename will be considered as "samples"
  • Blank name for MM: "MM_Blank_AIF"
  • Blank name for samples: "Blank_HPLC_AIF"
  • The name of the blank for the recovery will be deduced

Column "Peak Label" value to filter:

{{error}}
⏳ working...

Visible filenames
{{[ "Calibration", "Samples", ][i]}}
Subtract blank from Filename
MM "{{nom_blanc_MM}}"
Recovery "{{nom_blanc_recovery}}"
Samples "{{nom_blanc_mostres}}"
"{{val}}"
Choose Regression to compute PPB





low
high


Results ({{get_sheets_filtrats.length}}/{{sheets.length}})
~No results

{{sheet.nom}}

blank area
{{key}} {{val}}
type filename area (raw) area (-blank) ppb theoric ppb computed
ppb computed
(appl. recovery)
exclude
calibration {{row.filename}}
{{row.area}}
{{row.area}}
{{area_blanked}}
{{row.ppb_teoric}}
{{ppb_computed}}
sample {{row.filename}}
{{row.area}}
{{row.area}}
{{area_blanked}}
{{ppb_computed}}
{{quantifica_area(sheet, area_blanked)*100/rec}}
Regression {{tipus_regressio=='CC'?'CalCurve':tipus_regressio}} (ppb = m·area + n)
m {{sheet.regressio[tipus_regressio].m}}
n {{sheet.regressio[tipus_regressio].n}}
r2 {{sheet.regressio[tipus_regressio].r_squared}}
#points {{sheet.regressio[tipus_regressio].N}}
Recovery (%) {{sheet.recovery}}