Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b84d2e30b093065c67af405e21560cb3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.890,
"b": 88.404,
"c": 83.745,
"alpha": 90.0,
"beta": 110.2,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.590,2.200],
"number_observations": 226553,
"number_observations_unique": 47590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 34398,
"number_observations_unique": 6979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.967
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [78.590,6.960],
"number_observations": 7016,
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}