Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "674db720cab9753a1609c9b37b9270ff",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 284.139,
"b": 284.139,
"c": 297.599,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.210,4.050],
"number_observations": 1100587,
"number_observations_unique": 57983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [4.160,4.050],
"number_observations": 87635,
"number_observations_unique": 4439,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.072
},
{
"type": "R(meas)",
"value": 3.153
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [49.210,17.650],
"number_observations": 8447,
"number_observations_unique": 774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}