Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc77485de51d59e0fe8b747dda4633d6",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.574,
"b": 113.574,
"c": 87.695,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.67,2.2],
"number_observations_unique": 64279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11800000000000001
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 9.07
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.20],
"number_observations_unique": 10294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.833
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "CC(1/2)",
"value": 0.7440000000000001
}
]
},
{
"resolution_limits": [2.49,2.33],
"number_observations_unique": 9765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "CC(1/2)",
"value": 0.82
}
]
},
{
"resolution_limits": [2.69,2.49],
"number_observations_unique": 9112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.95,2.69],
"number_observations_unique": 8384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.29,2.95],
"number_observations_unique": 7564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.8,3.29],
"number_observations_unique": 6699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.08800000000000001
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.65,3.80],
"number_observations_unique": 5644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.07200000000000001
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.54,4.65],
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [47.67,6.54],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059000000000000004
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}