Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08bb7a3effbdffba286ea61f28773ae6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.043,
"b": 138.482,
"c": 155.336,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.900],
"number_observations_unique": 24635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 12.014
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [3.00,2.90],
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "Completeness",
"value": 83.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.12,3.00],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.27,3.12],
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [3.44,3.27],
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.65,3.44],
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.94,3.65],
"number_observations_unique": 2502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [4.33,3.94],
"number_observations_unique": 2517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [4.96,4.33],
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [6.24,4.96],
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [50.00,6.24],
"number_observations_unique": 2711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.30
}
]
}
]
}