getWorklist: getWorklist

Description Usage Arguments Value Author(s)

Description

Generate Worklist for MS data acquisition.

Usage

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getWorklist(
  table.name = "batch1.xlsx",
  instrument = c("Thermo", "Agilent", "AB"),
  each.mode.number = 30,
  randommethod = c("no", "position", "injection"),
  samplenumber = NULL,
  replication = 1,
  QCstep = 8,
  conditionQCnumber = 5,
  qc.index.from = 1,
  dir = "D:\\Liang\\SmarD_Urine_20190731\\RPLC\\",
  method.path = "D:\\Liang\\Methods\\RPLC\\Urine\\",
  ms1.method.pos = "Hypersil_GOLD_MS_pos",
  ms1.method.neg = "Hypersil_GOLD_MS_neg",
  ms2.method.pos = c("Hypersil_GOLD_MSMS_pos_NCE25_70_250",
    "Hypersil_GOLD_MSMS_pos_NCE25_240_400", "Hypersil_GOLD_MSMS_pos_NCE25_390_600",
    "Hypersil_GOLD_MSMS_pos_NCE25_590_1000", "Hypersil_GOLD_MSMS_pos_NCE50_70_250",
    "Hypersil_GOLD_MSMS_pos_NCE50_240_400", "Hypersil_GOLD_MSMS_pos_NCE50_390_600",
    "Hypersil_GOLD_MSMS_pos_NCE50_590_1000"),
  ms2.method.neg = c("Hypersil_GOLD_MSMS_neg_NCE25_70_250",
    "Hypersil_GOLD_MSMS_neg_NCE25_240_400", "Hypersil_GOLD_MSMS_neg_NCE25_390_600",
    "Hypersil_GOLD_MSMS_neg_NCE25_590_1000", "Hypersil_GOLD_MSMS_neg_NCE50_70_250",
    "Hypersil_GOLD_MSMS_neg_NCE50_240_400", "Hypersil_GOLD_MSMS_neg_NCE50_390_600",
    "Hypersil_GOLD_MSMS_neg_NCE50_590_1000")
)

Arguments

instrument

Which instrument you use? "Agilent", "AB" or "Thermo", default is "Thermo".

randommethod

Which random method you want to use? "no", "position" or "injection". Default is "no".

samplenumber

Sample number.

replication

Replication times.

QCstep

QC step.

conditionQCnumber

Condition QC number.

dir

Directory.

name

The name of worklist.

validationQCstep

Validation QC step.

testmixstep

Test mixture step.

injectionfrom

Injection order from which? Default is 1.

user

Default is "other".

Value

New worklist.

Author(s)

Xiaotao Shen shenxt@sioc.ac.cn


jaspershen/sxtTools documentation built on May 2, 2020, 6:37 a.m.