Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56bacf1882db06bd92dfbe0e0c5789b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.303,
"b": 98.745,
"c": 59.090,
"alpha": 90.00,
"beta": 108.05,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.830,1.600],
"number_observations": 277540,
"number_observations_unique": 77631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 13971,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [48.830,8.760],
"number_observations": 1786,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}