Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f423c0aea00adca0eb8733f6ee337543",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.73,
"b": 67.73,
"c": 166.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.930,1.900],
"number_observations": 167682,
"number_observations_unique": 18685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10867,
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.291
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [33.930,9.110],
"number_observations": 1540,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}