Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "613e5e1eb3458b86518947c11d7f6891",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 104.511,
"b": 89.730,
"c": 77.489,
"alpha": 90.00,
"beta": 98.09,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.860],
"number_observations": 200133,
"number_observations_unique": 59159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 12324,
"number_observations_unique": 3786,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.086
},
{
"type": "R(meas)",
"value": 1.301
},
{
"type": "R(pim)",
"value": 0.710
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [29.160,8.920],
"number_observations": 1882,
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}