Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27762cff8857ddc3d7a842033fb33878",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.123,
"b": 84.588,
"c": 89.281,
"alpha": 71.08,
"beta": 74.10,
"gamma": 87.22
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.530,2.600],
"number_observations_unique": 37749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.600],
"number_observations_unique": 5589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "R(meas)",
"value": 0.690
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [49.530,8.220],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}