Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8819cf5e4c882b3e38b258454141ff3f",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.688,
"b": 77.456,
"c": 86.797,
"alpha": 74.46,
"beta": 78.16,
"gamma": 89.86
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.820,2.320],
"number_observations": 185387,
"number_observations_unique": 52682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.320],
"number_observations": 16083,
"number_observations_unique": 4569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.763
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [48.820,9.570],
"number_observations": 2457,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}