Description Usage Arguments Value Author(s)
Generate Worklist for MS data acquisition.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | 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")
)
|
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". |
New worklist.
Xiaotao Shen shenxt@sioc.ac.cn
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