Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49b6ce6c0e389835fd88cbc74e5acd54",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.245,
"b": 119.221,
"c": 94.232,
"alpha": 90.00,
"beta": 91.28,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.370,2.200],
"number_observations": 143911,
"number_observations_unique": 49893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 9895,
"number_observations_unique": 4115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [36.370,9.070],
"number_observations": 2000,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}