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Reading SPC format files

This example shows reading of ‘Galactic Industries’ SPC data file format. (.spc format).

Import the package

import spectrochempy as scp

Read a single spectrum file

ex1 = scp.read_spc("galacticdata/BENZENE.SPC")
_ = ex1.plot()
ex1

NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/BENZENE.SPC] — float64, shape: (y:1, x:1842), a.u.

name

:

/home/runner/.spectrochempy/testdata/galacticdata/BENZENE.SPC

author

:

runner@runnervm5mmn9

created

:

2026-07-10 21:25:14+00:00

description

:

Dataset from spc file.
Memo: FT-IR Spectrum of Benzene, Capillary Film.

history

:

2026-07-10 21:25:14+00:00> Imported from spc file /home/runner/.spectrochempy/testdata/galacticdata/BENZENE.SPC.

Data

title

:

Absorbance

values

:

[[ 0.1016 0.09619 ... 0.0144 0.01514]] a.u.

shape

:

(y:1, x:1842)

Dimension `x`

size

:

1842

title

:

Wavenumbers

coordinates

:

[ 449.4 451.4 ... 3999 4000] cm⁻¹

Dimension `y`

size

:

1

title

:

acquisition timestamp (GMT)

coordinates

:

[8.579e+08] s

labels

:

[ 1997-03-09 08:46:00]

Read merged subfiles

When subfiles share the same x-coordinates, they are merged automatically:

ex2 = scp.read_spc("galacticdata/CONTOUR.SPC")
_ = ex2.plot()
ex2

NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/CONTOUR.SPC] — float64, shape: (y:19, x:179), a.u.

name

:

/home/runner/.spectrochempy/testdata/galacticdata/CONTOUR.SPC

author

:

runner@runnervm5mmn9

created

:

2026-07-10 21:25:14+00:00

description

:

Dataset from spc file.
Memo: Subfiles are the Same Portion of POLYS Multiplied by a Sine Wave.

history

:

2026-07-10 21:25:14+00:00> Imported from spc file /home/runner/.spectrochempy/testdata/galacticdata/CONTOUR.SPC.

Data

title

:

Absorbance

values

:

[[5.282e-05 4.543e-05 ... 6.53e-05 5.282e-05]
[5.217e-05 4.488e-05 ... 6.45e-05 5.217e-05]
...
[5.243e-05 4.51e-05 ... 6.482e-05 5.243e-05]
[5.335e-05 4.589e-05 ... 6.596e-05 5.335e-05]] a.u.

shape

:

(y:19, x:179)

Dimension `x`

size

:

179

title

:

Wavenumbers

coordinates

:

[ 3132 3130 ... 2791 2789] cm⁻¹

Dimension `y`

size

:

19

title

:

axis title

coordinates

:

[ 0 2 ... 34 36]

Read subfiles with different x-coordinates

Subfiles with distinct x-coordinates are returned as a list:

ex3 = scp.read_spc("galacticdata/DRUG_SAMPLE_PEAKS.SPC")
for nd in ex3:
    _ = nd.plot_bar(width=0.1, clear=False)
ex3

# This ends the example ! The following line can be uncommented if no plot shows when
# running the .py script with python

# scp.show()

List (len=6, type=NDDataset)

0: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:124)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[ 2803 1.723e+04 ... 7720 1930]]
shape
:
(y:1, x:124)
1: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:141)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[ 6180 1823 ... 5930 2219]]
shape
:
(y:1, x:141)
2: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:237)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[ 2491 2.89e+04 ... 1.123e+04 2132]]
shape
:
(y:1, x:237)
3: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:237)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[ 2096 3.101e+04 ... 5209 2257]]
shape
:
(y:1, x:237)
4: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:253)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[1.592e+04 3352 ... 2.961e+04 4199]]
shape
:
(y:1, x:253)
5: NDDataset [/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:80)
name
:
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC
author
:
runner@runnervm5mmn9
created
:
2026-07-10 21:25:14+00:00
description
:
Dataset from spc file.
Memo: Multifile of Peak Mass Spectra from Drug Sample.spcFormat
Log Text:
---------

[FILEINFO]
1999/10/14 14:10 W = Modified Date/Time (FILEINFO.AB) User=brigitte
Version = 5.22
[END FILEINFO]

[GC-MS]
Version = 1.10
2000/09/12 12:44 I = Interpolated (GCMS.AB) User=Brigitte
2000/09/12 12:44 T = Truncated (GCMS.AB) User=Brigitte
Original File = drug sample.spc
Operation: Save TIC peaks to Multifile
Peak Spectra:
Subfile # Left Bsln Center Z Right Bsln
74 4.66900015 4.75843334 4.85790014
176 5.68198347 5.77180004 5.81143332
187 5.82154989 5.88114977 5.98111677
242 6.33855009 6.42843342 6.52845001
279 6.70749998 6.79773331 6.89788342
306 6.9770999 7.06698322 7.16693354
[END GC-MS]

[FILEINFO]
2000/09/12 12:45 W = Modified Date/Time (FILEINFO.AB) User=Brigitte
Version = 6.00
[END FILEINFO]

history
:
2026-07-10 21:25:14+00:00> Imported from spc file
/home/runner/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC.
Data
title
:
Arbitrary Intensity
values
:
...
[[ 9301 1.36e+04 ... 1.953e+04 1813]]
shape
:
(y:1, x:80)