Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0de8ea95dcd04b464cd30e2cf190ffd1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.33,
"b": 84.37,
"c": 112.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.48,1.35],
"number_observations_unique": 116846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 20.64
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.40,1.35],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 4.24
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.55,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 6.78
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.70,1.55],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.66
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.90,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 18.20
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.1
},
{
"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": 28.82
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}