Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e10730facad3db4203bc42e67f2544c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.495,
"b": 35.091,
"c": 68.074,
"alpha": 90.00,
"beta": 98.01,
"gamma": 90.00
},
"wavelengths": [0.91165],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.710,2.300],
"number_observations": 30722,
"number_observations_unique": 10772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 3167,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 1.056
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [33.710,8.910],
"number_observations": 531,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}