Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a93b82604208009a931f69c8b28a804",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.548,
"b": 162.872,
"c": 117.133,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98450],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.2710,2.060],
"number_observations_unique": 118887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.060],
"number_observations": 26099,
"number_observations_unique": 5838,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.771
},
{
"type": "R(meas)",
"value": 4.271
},
{
"type": "R(pim)",
"value": 1.971
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.123
}
]
},
{
"resolution_limits": [49.260,11.280],
"number_observations": 3679,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
}
]
}