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GET
/
xps
/
{data_id}
from atomscale import Client

client = Client(api_key="YOUR_API_KEY")
results = client.get(data_ids="d290f1ee-6c54-4b01-90e6-d701748f0851")
xps = results[0]  # XPSResult
print(xps.predicted_composition)
print(xps.detected_peaks)

{
  "data_id": "d290f1ee-6c54-4b01-90e6-d701748f0851",
  "xps_id": "xps_001",
  "binding_energies": [0, 10, 20, 30],
  "intensities": [1000, 1200, 1100, 900],
  "predicted_composition": {"Ga": 0.485, "As": 0.472, "O": 0.031, "C": 0.012},
  "composition_uncertainty": {"Ga": 0.02, "As": 0.02, "O": 0.01, "C": 0.005},
  "set_elements": [],
  "predicted_elements": ["Ga", "As", "O", "C"],
  "predicted_formula": "GaAs",
  "detected_peaks": [{"element": "Ga3d", "position": 19.2}],
  "dict_formula": {"Ga": 1, "As": 1},
  "last_updated": "2024-01-15T10:35:00Z"
}

Documentation Index

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Returns processed XPS data including binding energies, intensities, predicted composition, and detected peaks.
​
data_id
string
required
The data entry UUID for the XPS measurement

​
Response

​
data_id
string
Data entry UUID
​
xps_id
string
XPS results identifier
​
binding_energies
array
Binding energy values (eV)
​
intensities
array
Intensity/count values corresponding to binding energies
​
predicted_composition
object
Predicted elemental composition
​
composition_uncertainty
object
Uncertainty values for the predicted composition
​
set_elements
array
User-specified elements for analysis
​
predicted_elements
array
Elements predicted from the spectrum
​
predicted_formula
string
Predicted chemical formula
​
detected_peaks
array
Detected peaks in the spectrum
​
dict_formula
object
Formula as a dictionary of element counts
​
last_updated
string
ISO 8601 timestamp of last update
from atomscale import Client

client = Client(api_key="YOUR_API_KEY")
results = client.get(data_ids="d290f1ee-6c54-4b01-90e6-d701748f0851")
xps = results[0]  # XPSResult
print(xps.predicted_composition)
print(xps.detected_peaks)

{
  "data_id": "d290f1ee-6c54-4b01-90e6-d701748f0851",
  "xps_id": "xps_001",
  "binding_energies": [0, 10, 20, 30],
  "intensities": [1000, 1200, 1100, 900],
  "predicted_composition": {"Ga": 0.485, "As": 0.472, "O": 0.031, "C": 0.012},
  "composition_uncertainty": {"Ga": 0.02, "As": 0.02, "O": 0.01, "C": 0.005},
  "set_elements": [],
  "predicted_elements": ["Ga", "As", "O", "C"],
  "predicted_formula": "GaAs",
  "detected_peaks": [{"element": "Ga3d", "position": 19.2}],
  "dict_formula": {"Ga": 1, "As": 1},
  "last_updated": "2024-01-15T10:35:00Z"
}