Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cc7a3f2af1ce546a8fd6f01d0fef4a4",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.93,
"b": 99.93,
"c": 98.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.540,2.020],
"number_observations": 117350,
"number_observations_unique": 12422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 8287,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.348
},
{
"type": "R(meas)",
"value": 1.439
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [42.540,9.030],
"number_observations": 1512,
"number_observations_unique": 162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}