Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "968e2135a8d5db461a43923877c8c892",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 69.533,
"b": 149.488,
"c": 55.634,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.710,1.680],
"number_observations": 433610,
"number_observations_unique": 33515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 21611,
"number_observations_unique": 1696,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.612
},
{
"type": "R(meas)",
"value": 4.805
},
{
"type": "R(pim)",
"value": 1.339
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.471
}
]
},
{
"resolution_limits": [41.710,9.050],
"number_observations": 2808,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}