Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e4ec811218bf8eaad1c0ddd87b24d12",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 64.382,
"b": 118.685,
"c": 66.108,
"alpha": 90.00,
"beta": 92.68,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.940,2.000],
"number_observations": 87865,
"number_observations_unique": 31161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 2993,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 58.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [36.940,8.940],
"number_observations": 1000,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 77.200
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}