我有 x 和 y 值数据框形式的数据，绘制时如下所示:
(绿色突出显示的部分对应下面的 dput() 数据)。
我想使用基线包来试验“Liland, K. H., Almøy, T., & Mevik, B.-H. (2010). 多变量校准基线校正的最佳选择”中描述的不同基线校正算法应用光谱学, 64(9), 1007–1016. doi:10.1366/000370210792434350".
该包指定“数据必须组织为矩阵或 data.frame 中的行向量”，但是，简单地将我的 y 值转换为矩阵是行不通的:
> baseline(as.matrix(y, byrow=T))
Error in rep(3, p - 4) : invalid 'times' argument
随包提供的示例数据的结构我无法解释或弄清楚如何用我自己的数据进行模拟。
> library(baseline)
> data(milk)
> str(milk)
'data.frame': 45 obs. of 2 variables:
$ cow : num 0 0.25 0.375 0.875 0.5 0.75 0.5 0.125 0 0.125 ...
$ spectra: num [1:45, 1:21451] 1029 371 606 368 554 ...
..- attr(*, "dimnames")=List of 2
.. ..$ : NULL
.. ..$ : chr [1:21451] "4999.94078628963" "5001.55954267662" "5003.17856106153" "5004.79784144435" ...
- attr(*, "terms")=Classes 'terms', 'formula' language cow ~ spectra
.. ..- attr(*, "variables")= language list(cow, spectra)
.. ..- attr(*, "factors")= int [1:2, 1] 0 1
.. .. ..- attr(*, "dimnames")=List of 2
.. .. .. ..$ : chr [1:2] "cow" "spectra"
.. .. .. ..$ : chr "spectra"
.. ..- attr(*, "term.labels")= chr "spectra"
.. ..- attr(*, "order")= int 1
.. ..- attr(*, "intercept")= int 1
.. ..- attr(*, "response")= int 1
.. ..- attr(*, ".Environment")=<environment: R_GlobalEnv>
.. ..- attr(*, "predvars")= language list(cow, spectra)
.. ..- attr(*, "dataClasses")= Named chr [1:2] "numeric" "nmatrix.21451"
.. .. ..- attr(*, "names")= chr [1:2] "cow" "spectra"
如果有人能告诉我如何在我自己的数据上调用baseline()，我将不胜感激。
这是我正在使用的数据的一小部分，对应于上图的绿色突出显示部分:
> dput(fid_df[fid_df$rt>12.5&fid_df$rt<12.8,])
structure(list(rt = c(12.5002866914485, 12.5011200182712, 12.5019533450939,
12.5027866719166, 12.5036199987393, 12.5044533255619, 12.5052866523846,
12.5061199792073, 12.50695330603, 12.5077866328527, 12.5086199596754,
12.5094532864981, 12.5102866133207, 12.5111199401434, 12.5119532669661,
12.5127865937888, 12.5136199206115, 12.5144532474342, 12.5152865742568,
12.5161199010795, 12.5169532279022, 12.5177865547249, 12.5186198815476,
12.5194532083703, 12.5202865351929, 12.5211198620156, 12.5219531888383,
12.522786515661, 12.5236198424837, 12.5244531693064, 12.5252864961291,
12.5261198229517, 12.5269531497744, 12.5277864765971, 12.5286198034198,
12.5294531302425, 12.5302864570652, 12.5311197838878, 12.5319531107105,
12.5327864375332, 12.5336197643559, 12.5344530911786, 12.5352864180013,
12.536119744824, 12.5369530716466, 12.5377863984693, 12.538619725292,
12.5394530521147, 12.5402863789374, 12.5411197057601, 12.5419530325827,
12.5427863594054, 12.5436196862281, 12.5444530130508, 12.5452863398735,
12.5461196666962, 12.5469529935189, 12.5477863203415, 12.5486196471642,
12.5494529739869, 12.5502863008096, 12.5511196276323, 12.551952954455,
12.5527862812776, 12.5536196081003, 12.554452934923, 12.5552862617457,
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12.7994510207923), value = c(17.3893229166667, 17.394140625,
17.3994791666667, 17.3966145833333, 17.397265625, 17.4009114583333,
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17.4138020833333, 17.4260416666667, 17.4364583333333, 17.4458333333333,
17.4639322916667, 17.491015625, 17.5239583333333, 17.5647135416667,
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)), row.names = 15002:15361, class = "data.frame")
(这里的问题:R-package(baseline) application to sample dataset 似乎也有类似的问题，但没有解决如何将简单的 x,y 数据转换为基线包所需的格式)。
最佳答案
基线包期望光谱出现在行中，但您的代码创建了一个矩阵，其中光谱位于单列中。如果将从 data.frame 到矩阵的转换更改为以下内容，它应该可以工作:
baseline(matrix(y, nrow=1))
问题是由两件事引起的，一是使用 as.matrix()，它不接受您需要的参数，二是使用 byrow=T 而不是 >nrow=1。 byrow 控制矩阵填充的方向，按行或按列，但对输出尺寸没有影响。
牛奶数据中的额外模糊在这里没有帮助，所以我将在下一个包更新中将其删除。我还将研究允许以矢量格式处理单个光谱而不是显式强制矩阵输入的可能性。
附注我能够通过一点额外的努力复制出您的数据，但怀疑您需要直接从该页面复制粘贴原始数据，因为 dput 行包含一些子集。
关于r - 如何将数据帧(或向量)转换为矩阵以将 R 基线包用于除提供的示例数据之外的数据？，我们在Stack Overflow上找到一个类似的问题： https://stackoverflow.com/questions/74870099/