Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75546ccc8ba5b584099ae0a69d7b2f5b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.33,
"b": 84.38,
"c": 112.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.49,1.35],
"number_observations_unique": 116344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 20.58
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.40,1.35],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 4.05
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.55,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 6.48
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.70,1.55],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 11.24
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.90,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 17.80
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.20,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.65
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}