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

name

:

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

author

:

docs@891f0bf83b67

created

:

2026-10-05 02:20:10+00:00

description

:

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

history

:

2026-10-05 02:20:10+00:00> Imported Galactic SPC file 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/docs/.spectrochempy/testdata/galacticdata/CONTOUR.SPC] — float64, shape: (y:19, x:179), a.u.

name

:

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

author

:

docs@891f0bf83b67

created

:

2026-10-05 02:20:11+00:00

description

:

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

history

:

2026-10-05 02:20:11+00:00> Imported Galactic SPC file 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

List (len=6, type=NDDataset)

• 0: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:124)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[ 2803 1.723e+04 ... 7720 1930]]

  shape

  :

  (y:1, x:124)

  Dimension x

  size

  :

  124

  title

  :

  m/z

  coordinates

  :

  [ 37.85 39.05 ... 305.1 354.9] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 5.881] min
• 1: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:141)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[ 6180 1823 ... 5930 2219]]

  shape

  :

  (y:1, x:141)

  Dimension x

  size

  :

  141

  title

  :

  m/z

  coordinates

  :

  [ 39.05 39.95 ... 355 355.9] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 5.772] min
• 2: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:237)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[ 2491 2.89e+04 ... 1.123e+04 2132]]

  shape

  :

  (y:1, x:237)

  Dimension x

  size

  :

  237

  title

  :

  m/z

  coordinates

  :

  [ 38.05 39.05 ... 313.1 314.1] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 6.428] min
• 3: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:237)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[ 2096 3.101e+04 ... 5209 2257]]

  shape

  :

  (y:1, x:237)

  Dimension x

  size

  :

  237

  title

  :

  m/z

  coordinates

  :

  [ 38.05 39.05 ... 330.1 354.9] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 6.798] min
• 4: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:253)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[1.592e+04 3352 ... 2.961e+04 4199]]

  shape

  :

  (y:1, x:253)

  Dimension x

  size

  :

  253

  title

  :

  m/z

  coordinates

  :

  [ 39.05 40.05 ... 371.1 372.1] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 7.067] min
• 5: NDDataset [/home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC] — float64, shape: (y:1, x:80)

  name

  :

  /home/docs/.spectrochempy/testdata/galacticdata/DRUG_SAMPLE_PEAKS.SPC

  author

  :

  docs@891f0bf83b67

  created

  :

  2026-10-05 02:20:11+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

  :

  2026-10-05 02:20:11+00:00> Imported Galactic SPC file DRUG_SAMPLE_PEAKS.SPC

  Data

  title

  :

  Arbitrary Intensity

  values

  :

  ...

  [[ 9301 1.36e+04 ... 1.953e+04 1813]]

  shape

  :

  (y:1, x:80)

  Dimension x

  size

  :

  80

  title

  :

  m/z

  coordinates

  :

  [ 38.05 39.05 ... 196.1 196.9] g⋅e⁻¹⋅mol⁻¹

  Dimension y

  size

  :

  1

  title

  :

  Time

  coordinates

  :

  [ 4.758] min

Uncomment the following line to display all figures when running the script directly with Python.

# scp.show()