Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef5439efc283baaf5a8c1ff5511d1c16",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.88,
"b": 57.64,
"c": 114.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,1.720],
"number_observations": 239157,
"number_observations_unique": 36496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 16462,
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.018
},
{
"type": "R(meas)",
"value": 2.201
},
{
"type": "R(pim)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [47.280,7.690],
"number_observations": 3001,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 72.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}