Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6fc276c3928d5fa1161b61ca83d0be3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 74.459,
"b": 42.912,
"c": 103.345,
"alpha": 90.0,
"beta": 96.1,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.130,1.900],
"number_observations": 175918,
"number_observations_unique": 25522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11633,
"number_observations_unique": 1646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [37.130,9.110],
"number_observations": 1667,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}