Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a54fc5511cbac51253167e556552e16a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 99.886,
"b": 157.556,
"c": 220.467,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.710,2.600],
"number_observations_unique": 53793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.600],
"number_observations": 66087,
"number_observations_unique": 4594,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.068
},
{
"type": "R(meas)",
"value": 2.144
},
{
"type": "R(pim)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [48.710,10.720],
"number_observations": 10987,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}