Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e71e013b80c370c77e6d8277287f1e72",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.584,
"b": 45.896,
"c": 42.938,
"alpha": 90.00,
"beta": 97.12,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.480,1.900],
"number_observations_unique": 21066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 2421,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.906
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [19.480,8.910],
"number_observations": 317,
"number_observations_unique": 109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}