Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47b87bbd8ddd7c5e0e144c4875f5a43f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.428,
"b": 71.428,
"c": 150.467,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.400,1.190],
"number_observations": 1112172,
"number_observations_unique": 112008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 2004,
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 26.400
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.454
}
]
},
{
"resolution_limits": [29.400,6.520],
"number_observations": 10311,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 55.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}