Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "90e9545e22114dc29a088092f2596c43",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 104.287,
"b": 104.287,
"c": 160.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.58,1.9],
"number_observations_unique": 79914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 8.26
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.41
}
]
},
"refln_shells": [
{
"resolution_limits": [2.13,1.90],
"number_observations_unique": 10742,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.921
},
{
"type": "R(meas)",
"value": 2.801
},
{
"type": "I/SigI",
"value": 0.91
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [2.28,2.13],
"number_observations_unique": 10184,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.323
},
{
"type": "R(meas)",
"value": 1.385
},
{
"type": "I/SigI",
"value": 30.45
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [2.46,2.28],
"number_observations_unique": 9418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.991
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.7,2.46],
"number_observations_unique": 8748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.01,2.70],
"number_observations_unique": 7934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.48,3.01],
"number_observations_unique": 7052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.25,3.48],
"number_observations_unique": 5966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.99,4.25],
"number_observations_unique": 4716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.58,5.99],
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}