Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b608d2a42065e31c6ee2751e1cd64fe4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.680,
"b": 69.279,
"c": 118.081,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.820,2.310],
"number_observations": 45976,
"number_observations_unique": 9210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.310],
"number_observations": 4183,
"number_observations_unique": 898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [59.820,8.960],
"number_observations": 852,
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 77.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
}
]
}