Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "097bb9ed11b1a7998f211fa8737b79f1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.710,
"b": 96.604,
"c": 58.040,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.660],
"number_observations": 178238,
"number_observations_unique": 27032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 7000,
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [29.020,8.810],
"number_observations": 1331,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 68.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}