Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "830f31f8a821476c6f04fabba3c591cb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 383.414,
"b": 86.740,
"c": 133.958,
"alpha": 90.00,
"beta": 108.89,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.180,2.700],
"number_observations": 349063,
"number_observations_unique": 112000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations": 14441,
"number_observations_unique": 5260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 1.092
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.189
}
]
},
{
"resolution_limits": [46.180,14.790],
"number_observations": 2516,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}