Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62df8fa951c64a74ae74659bb9eeca9c",
"space_group_name": "P 1",
"unit_cell": {
"a": 95.905,
"b": 96.091,
"c": 156.992,
"alpha": 88.94,
"beta": 84.37,
"gamma": 89.97
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.800,2.900],
"number_observations_unique": 122285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.900],
"number_observations": 19555,
"number_observations_unique": 6015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.174
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [49.800,15.880],
"number_observations": 2249,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}