Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b013d1d628ea2df35c935f5a999a6f0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.60,
"b": 61.04,
"c": 135.68,
"alpha": 90.00,
"beta": 98.31,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.520,1.780],
"number_observations_unique": 104124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 19616,
"number_observations_unique": 5094,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.986
},
{
"type": "R(meas)",
"value": 3.447
},
{
"type": "R(pim)",
"value": 1.682
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.168
}
]
},
{
"resolution_limits": [41.520,9.740],
"number_observations": 3323,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}