Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45fb2591dbbaef783073e241b1ab8f73",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.939,
"b": 53.058,
"c": 54.632,
"alpha": 78.86,
"beta": 65.62,
"gamma": 80.65
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.850,1.490],
"number_observations_unique": 76910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.49],
"number_observations_unique": 7835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "Completeness",
"value": 94.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.61,1.54],
"number_observations_unique": 7900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.68,1.61],
"number_observations_unique": 7865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.77,1.68],
"number_observations_unique": 8031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.88,1.77],
"number_observations_unique": 7954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.02,1.88],
"number_observations_unique": 7687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 92.40
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.23,2.02],
"number_observations_unique": 7400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 88.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.55,2.23],
"number_observations_unique": 6791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 81.80
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [3.21,2.55],
"number_observations_unique": 8189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [50.00,3.21],
"number_observations_unique": 7258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 87.50
},
{
"type": "Redundancy",
"value": 2.50
}
]
}
]
}