Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f5a39a56d1e4e21c2541963fd70992e",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.430,
"b": 95.430,
"c": 45.831,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.320,1.290],
"number_observations": 564213,
"number_observations_unique": 51533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 8659,
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(meas)",
"value": 1.323
},
{
"type": "R(pim)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.239
}
]
},
{
"resolution_limits": [41.320,6.950],
"number_observations": 4395,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 71.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}