自动化集成色谱图峰值
代码示例(Python):
import numpy as np
import pandas as pd
from scipy.signal import find_peaks
# 读取数据
data = pd.read_csv('chromatograms.csv')
# 进行自动化峰值检测
peaks, _ = find_peaks(data['signal'], height=0, distance=10)
# 计算峰值面积
areas = np.zeros(len(peaks))
for i, p in enumerate(peaks):
left = max(0, p-10)
right = min(len(data), p+10)
areas[i] = np.trapz(data['signal'][left:right])
# 输出峰值面积
for i, a in enumerate(areas):
print('峰%s面积为%.2f' % (i+1, a))
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