Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf913fcbb40842b659abad4598864c99",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.55,
"b": 102.92,
"c": 89.18,
"alpha": 90.00,
"beta": 112.67,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.550,2.300],
"number_observations": 142669,
"number_observations_unique": 48901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.300],
"number_observations": 12408,
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [33.550,9.480],
"number_observations": 2281,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}