Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5185210316ac95b5c2227349c5b84271",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.793,
"b": 52.856,
"c": 44.535,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.950,1.610],
"number_observations": 110581,
"number_observations_unique": 32968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations": 4240,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(meas)",
"value": 1.683
},
{
"type": "R(pim)",
"value": 0.999
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.277
}
]
},
{
"resolution_limits": [54.950,8.810],
"number_observations": 824,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}