Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "839a3c1572911923ab1f896f46d605fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.38,
"b": 84.42,
"c": 112.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.53,1.35],
"number_observations_unique": 116950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.05
},
{
"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": 0.301
},
{
"type": "I/SigI",
"value": 4.81
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.50,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 6.65
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.65,1.50],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 10.50
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.70,1.65],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 14.01
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.90,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 17.92
},
{
"type": "Completeness",
"value": 99.4
},
{
"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": 27.24
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}