Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "beeeb7a48823137b5b52aaef5ed5e989",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.518,
"b": 63.873,
"c": 79.410,
"alpha": 90.00,
"beta": 118.83,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.030,2.400],
"number_observations_unique": 15727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 11317,
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [47.980,8.980],
"number_observations": 2249,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}