Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d809328a038e7ab10ce743ad4bbeeff4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.38,
"b": 84.41,
"c": 112.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.52,1.35],
"number_observations_unique": 116923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.03
},
{
"type": "Completeness",
"value": 98.8
},
{
"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": 0.303
},
{
"type": "I/SigI",
"value": 4.81
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.55,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 7.38
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.70,1.55],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.19
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.90,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 17.94
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.20,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 27.25
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}