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適合多列的樣條曲線並儲存預測值

大家好，

我有很多來自 FTIR 光譜實驗的不同列，為了校正基線，我需要對每列執行擬合樣條（一列 = 一個光譜）。我想使用 JSL 自動執行此操作，這樣我就不必手動保存數百個「預測值」。

我嘗試創建一個代碼，但不知何故它不想保存值或在每列中放入 0。

有人可以幫忙嗎？

下面是我的程式碼：

dt = Current Data Table();

// Define the columns for the fit (assuming multiple Y columns and one X column)
x_col = Column("Wavenumber"); // Replace with the name of your X column

y_cols = {};
For(i = 1, i <= N Col(dt), i++, 
	col_name = Column(i) << Get Name;
    // Check if the column name contains "Absorbance at t="
	If(Contains(col_name, "Absorbance at t="), 
		Insert Into(y_cols, col_name);  // Add to the list
	);
);

// Create a list to store fit reports
fit_reports = {};

// Perform Fit Y by X for each Y column separately and display the fit
For(i = 1, i <= N Items(y_cols), i++, 
	y_col = y_cols[i];
	fit_report = dt << Fit Y by X(
		Y(Column(y_col)), 
		X(x_col), 
		Fit Spline(1000) // Adjust the lambda (smoothing parameter) as needed
	);
	Insert Into(fit_reports, fit_report);
);

Show(
	"All fits have been displayed. Please review them and adjust the lambda value in the script if needed."
);

// Wait for user to review fits
Wait(0);

// Use a Yes/No dialog to prompt the user to continue or stop
result = New Window("Save Predicted Values?", 
	Text Box("Are you satisfied with the fits? Click Yes to save predicted values, No to stop."), 
	Button Box("Yes", 
        // Save predicted values as columns in the dataset
		For(i = 1, i <= N Items(y_cols), i++, 
			y_col = y_cols[i];
			fit_report = fit_reports[i];
			predicted_col_name = "Spline Predictor for " || y_col;
			dt << New Column(predicted_col_name, Numeric);
			Column(predicted_col_name) << Set Values(fit_report["Prediction Formula"]);
		);
		Show("Predicted values saved successfully.");
	), 
	Button Box("No", 
		Show("Predicted values were not saved.");
	)
);

// Close all fit reports
For(i = 1, i <= N Items(fit_reports), i++, 
	Close(fit_reports[i], No Save);
);
 

Close(result); // Close the dialog window

編輯 2024-09-24 jthi：新增了 jsl 格式

自動化和腳本編寫回覆：為多列擬合樣條線並儲存預測值

這可能會給出一些想法

Names Default To Here(1);

dt = Open("$SAMPLE_DATA/Semiconductor Capability.jmp");

xcol = "NPN1";
ycols = {"PNP1", "NPN2"};

fits = {};
For Each({ycol}, ycols,
	Insert Into(fits,
		dt << Fit Y by X(
			Y(Eval(ycol)),
			X(Eval(xcol)),
			Fit Spline(1000)	
		);
	);
);

close_expr = Expr(
	For Each({fit}, fits,
		fit << close window;
	);
	nw << Close Window;
);

nw = New Window("Save Predicted Values?", 
	Text Box("Are you satisfied with the fits? Click Yes to save predicted values, No to stop."), 
	Button Box("Yes", 
		For Each({fit}, fits,
			fit << (Curve["Smoothing Spline Fit, lambda=1000"] << Save Predicteds);
		);
		wait(0);
		close_expr;
		Show("Predicted values saved successfully.");
	), 
	Button Box("No", 
		Show("Predicted values were not saved.");
		close_expr;
	)
);

我還會收集所有“Fit Y by X”到單個窗口，這樣更容易檢查它們，而不是打開多個單獨的窗口

回覆：為多列擬合樣條曲線並儲存預測值

效果非常好，非常感謝！我已經在 ChatGPT 上苦苦尋找解決方案幾個小時了:D