Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdbedfeed151dedf852bf26f18bc3925",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 84.565,
"b": 148.875,
"c": 145.093,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.360,2.300],
"number_observations": 560786,
"number_observations_unique": 40972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 52704,
"number_observations_unique": 3971,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.188
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [48.360,8.910],
"number_observations": 9359,
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}