Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fe7ff4f6ddeac6108824d4353aeaf36",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.217,
"b": 98.871,
"c": 50.439,
"alpha": 90.00,
"beta": 109.63,
"gamma": 90.00
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.500],
"number_observations_unique": 74224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.500],
"number_observations": 21749,
"number_observations_unique": 3567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [29.000,8.200],
"number_observations": 2966,
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}