Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56f148e3b6f24415fd277647895ae7f3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 189.865,
"b": 105.439,
"c": 165.905,
"alpha": 90.00,
"beta": 113.18,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.740,2.970],
"number_observations": 263617,
"number_observations_unique": 60551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,2.970],
"number_observations": 20540,
"number_observations_unique": 4524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.637
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [48.740,13.280],
"number_observations": 2946,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}