Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c8c370c676c265070760c8c7bb674de",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.927,
"b": 35.190,
"c": 52.672,
"alpha": 90.00,
"beta": 104.06,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.84],
"number_observations_unique": 5066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.84],
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.070,2.950],
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.210,3.070],
"number_observations_unique": 517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.380,3.210],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.590,3.380],
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.870,3.590],
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [4.260,3.870],
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [4.870,4.260],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [6.140,4.870],
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [50.000,6.140],
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
}
]
}