Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d74f4388e4c32360e45ecb5eb61e61c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.466,
"b": 98.588,
"c": 59.114,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.770,1.600],
"number_observations": 261946,
"number_observations_unique": 78513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 7518,
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [48.770,8.760],
"number_observations": 1758,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}