Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd4018733dbda874e4b1f979cce8d75a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 142.276,
"b": 70.715,
"c": 50.719,
"alpha": 90.00,
"beta": 100.98,
"gamma": 90.00
},
"wavelengths": [1.00915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.850,2.800],
"number_observations": 41563,
"number_observations_unique": 12283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 2652,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.857
},
{
"type": "R(meas)",
"value": 1.041
},
{
"type": "R(pim)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [40.850,12.520],
"number_observations": 463,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
}
]
}