Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c72641dcf9dd2dbec123892318b14bcd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 98.433,
"b": 137.153,
"c": 137.738,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.500],
"number_observations": 252315,
"number_observations_unique": 63915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 5695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 6215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 6422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 6426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 6422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 6484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 6463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 6519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 6552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [30.000,5.380],
"number_observations_unique": 6717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}