Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d638ed832e81797b22759de9aedb9e4b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.69,
"b": 45.49,
"c": 83.50,
"alpha": 90.00,
"beta": 101.84,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.860,1.880],
"number_observations": 109308,
"number_observations_unique": 34988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 8890,
"number_observations_unique": 2670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [40.860,8.410],
"number_observations": 1362,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}