Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66e6b5aa40efafd5aee209d22ebb36ff",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 92.965,
"b": 58.270,
"c": 154.132,
"alpha": 90.00,
"beta": 90.92,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.3710,2.600],
"number_observations_unique": 22838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 6956,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.117
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [49.370,11.640],
"number_observations": 2010,
"number_observations_unique": 311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}