Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce0fa29ba301e22a44ee6de435f0530d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.741,
"b": 40.474,
"c": 50.450,
"alpha": 90.00,
"beta": 100.74,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.046],
"number_observations_unique": 9038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 10.03
},
{
"type": "Completeness",
"value": 82.7
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.43,2.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.34
},
{
"type": "Completeness",
"value": 82.8
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.31,2.21],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.08
},
{
"type": "Completeness",
"value": 64.3
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [2.21,2.12],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.66
},
{
"type": "Completeness",
"value": 47.9
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [2.12,2.046],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 1.14
},
{
"type": "Completeness",
"value": 33.4
},
{
"type": "Redundancy",
"value": 1.7
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
}
]
}