Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5810b64f895ab947e91c8cd5d894fb23",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.567,
"b": 153.270,
"c": 118.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.34138],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.940,1.850],
"number_observations": 336582,
"number_observations_unique": 49376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 14285,
"number_observations_unique": 3040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [24.940,9.060],
"number_observations": 3118,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}