Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9dd455eb9a1c50d2fa289b9ef819c50b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.27,
"b": 27.08,
"c": 55.98,
"alpha": 90.00,
"beta": 100.33,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.980,1.370],
"number_observations": 74498,
"number_observations_unique": 25299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 3795,
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 1.037
},
{
"type": "R(pim)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [39.980,6.130],
"number_observations": 910,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}