Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ee7546be6d0a21af6be78c0594bb667",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.95,
"b": 27.22,
"c": 55.82,
"alpha": 90.00,
"beta": 100.25,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.320,1.480],
"number_observations": 120372,
"number_observations_unique": 20189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 6135,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.449
},
{
"type": "R(meas)",
"value": 1.647
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [40.320,6.620],
"number_observations": 1479,
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}