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# BUILD THERMO XCALIBUR INCLUSION LIST | |
# returns inclusion list dataframe | |
build_inclusion_list <- function( | |
input, # dataframe, with columns: | |
# `Raw file`, `Modified sequence`, `Retention time`, `Charge` | |
file='inclusion_list.csv', # output file | |
rt_width=3, # width, in minutes, of the RT window on either side | |
mz_decimals=5, # number of decimals to round m/z to | |
rt_decimals=1, # number of decimals to round RT to |
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import math | |
import multiprocessing | |
import random | |
import sys | |
import time | |
def merge(*args): | |
# Support explicit left/right args, as well as a two-item | |
# tuple which works more cleanly with multiprocessing. |