Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e668c5f55fd9e4abd3acaa380c946135",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 74.073,
"b": 74.073,
"c": 152.069,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.150],
"number_observations_unique": 23741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 2334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.420,2.320],
"number_observations_unique": 2325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.550,2.420],
"number_observations_unique": 2350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.710,2.550],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.920,2.710],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.210,2.920],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.670,3.210],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [4.610,3.670],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [20.000,4.610],
"number_observations_unique": 2477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 9.600
}
]
}
]
}