Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85cad5131229a51689e99a0547123cab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.108,
"b": 43.387,
"c": 70.684,
"alpha": 90.00,
"beta": 90.43,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.570],
"number_observations_unique": 44162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 73.500
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.57],
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "Completeness",
"value": 5.70
},
{
"type": "Redundancy",
"value": 1.30
}
]
},
{
"resolution_limits": [1.69,1.63],
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "Completeness",
"value": 27.00
},
{
"type": "Redundancy",
"value": 1.40
}
]
},
{
"resolution_limits": [1.77,1.69],
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "Completeness",
"value": 50.10
},
{
"type": "Redundancy",
"value": 1.60
}
]
},
{
"resolution_limits": [1.86,1.77],
"number_observations_unique": 4592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 77.10
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [1.98,1.86],
"number_observations_unique": 5814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.13,1.98],
"number_observations_unique": 5743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.35,2.13],
"number_observations_unique": 5763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.68,2.35],
"number_observations_unique": 5850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [3.38,2.68],
"number_observations_unique": 5805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [50.00,3.38],
"number_observations_unique": 5660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 2.40
}
]
}
]
}