Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3cc083595777b66a644b67d82fa56e6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.468,
"b": 87.746,
"c": 43.310,
"alpha": 90.00,
"beta": 94.08,
"gamma": 90.00
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.870,1.140],
"number_observations": 514396,
"number_observations_unique": 108732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 24720,
"number_observations_unique": 5319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [43.870,6.240],
"number_observations": 3355,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}