Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea05fd792ff037da47d9b1e6753cc944",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.484,
"b": 72.545,
"c": 67.488,
"alpha": 90.00,
"beta": 109.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.750,1.490],
"number_observations": 358782,
"number_observations_unique": 82198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.490],
"number_observations": 50105,
"number_observations_unique": 11959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [63.750,4.710],
"number_observations": 11610,
"number_observations_unique": 2689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}