Spectrometer Data Saving and Merging Guide

Spectrometer Data Saving and Merging Guide

Overview

When measuring with Pynect NIR and fiber spectrometer companion software, data saving, format selection and later merging are key to ensuring data integrity and traceability. This article uses the data management features of the NeariSoft software as the main thread, systematically introducing the four core operations: quick save, auto save, data format selection and data merging.

1. Quick Save

Steps

1. After completing a single measurement or continuous scan, click the Save button in the test tool area.
2. Enter a file name in the pop-up dialog.
3. After confirmation, the data is automatically saved to the quicksave folder in the current project path.

Applicable Scenarios

• Instant recording of single-experiment data.
• Saving key data points that need a custom file name.
• Quick archiving during exploratory experiments.

Notes

• The file name is recommended to include key information such as the sample number and date for later retrieval.
• Quick save does not change the current acquisition state; you can continue measuring after saving.

2. Auto Save

Description

The auto save feature allows the software to automatically store spectral data to the specified project directory at user-defined time intervals and counts. It is suitable for long-term process monitoring or large-batch unattended measurement.

Configuration

1. Click the Auto Save button in the top menu area.
2. In the pop-up dialog, check Enable Auto Save.
3. Set the following parameters:

4. Click OK to confirm the configuration.

Data Storage Path

After auto save is enabled, data files are automatically written to the auto_save subfolder in the project directory. Each file is automatically named by its scan timestamp.

Notes

• You must open a project first: auto save depends on the project path; data cannot be stored correctly without an open project.
• The interval should not be too short — the actual communication and storage speed varies with computer performance; no less than 50 ms is recommended.
• Watch the remaining disk space during long auto save sessions.

3. Data Format Selection

Available Formats

Companion software (such as ISC-NIRScan-GUI) typically supports the following data formats:

CSV Export Options

After checking *.csv, you can also check exporting the following data dimensions:
- Intensity (relative intensity): the relative spectrum obtained by processing the detector's raw counts.
- Absorbance: the absorbance values corrected by dark background and reference.
- Reflectance: the reflectance values corrected by dark background and reference.

Suggestion: for daily measurements that only need absorbance data, checking only *.csv is enough, to avoid generating too many redundant files per scan. If you need to review complete historical spectra within the software, also check *.dat.

File Name Prefix

In the Save Scan As area, you can add a custom prefix to data file names:

• Without prefix: Column 1_20210712_160057
• With prefix 001_SampleA: 001_SampleA_Column 1_20210712_160057

The prefix helps you quickly identify and filter data files after a period of batch testing.

4. Data Merging

Description

In auto save mode, each scan generates an independent spectral data file. When you need to merge all independent files into one table (for example, to plot a time-series chart or import into modeling software), you can use the data merging feature.

Steps

1. Click the Merge button in the top menu area.
2. In the pop-up dialog, set the following parameters:
   - Data source directory: select the folder containing the auto-saved files.
   - Output file name: set the name of the merged CSV file.
3. Click confirm; the software automatically traverses all spectral files in the source directory, extracts the data and merges them into the output.

Output Format

The typical structure of the merged CSV file is:

The first column is the wavelength, and each subsequent column is the spectral intensity at one time point.

Applicable Scenarios

• Post-processing of long-term reaction kinetics experiments.
• Summarizing data from batch sample measurements.
• Combining independent files into one matrix for batch analysis in Python/MATLAB.

5. Best Practices

1. Project-based management: create a separate project before each experiment and manage data from the same batch together.
2. Naming conventions: use prefixes containing the date, sample number and experimental conditions, such as 20250115_SampleA_10s.
3. Dual-format storage: save critical data as both *.dat (reviewable in the software) and *.csv (for general analysis).
4. Regular archiving: after the experiment, compress and archive the project folder to free up working-directory space.
5. Merge verification: after merging, spot-check the original files at several time points against the corresponding columns in the merged file to confirm the merge is correct.

This article was compiled by Pynect.