Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e08205eef3e8e8fcfcaea7872b3831b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 88.17,
"b": 94.22,
"c": 126.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.430,2.700],
"number_observations": 94630,
"number_observations_unique": 28543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 12382,
"number_observations_unique": 3789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [52.430,8.960],
"number_observations": 2493,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}