Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9fe9c7e2798397c4baf1d50b49163c2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.145,
"b": 68.546,
"c": 105.176,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.470],
"number_observations": 123026,
"number_observations_unique": 21295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.470],
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.580,1.520],
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.740,1.660],
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.850,1.740],
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.200,2.000],
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.510,2.200],
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.170,2.510],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [50.000,3.170],
"number_observations_unique": 2328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}