Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe8f6b2dd57710dd732f7b01082a680a",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.832,
"b": 95.832,
"c": 45.876,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.900,1.500],
"number_observations": 445491,
"number_observations_unique": 33483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 17006,
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.587
},
{
"type": "R(meas)",
"value": 3.773
},
{
"type": "R(pim)",
"value": 1.168
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
},
{
"resolution_limits": [47.900,8.210],
"number_observations": 2535,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 55.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}