Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed25c0b4636cbfb824e90e02b86fa16e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 44.778,
"b": 72.151,
"c": 97.470,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.200],
"number_observations_unique": 94612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.240,1.220],
"number_observations_unique": 4812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.270,1.240],
"number_observations_unique": 4796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.290,1.270],
"number_observations_unique": 4798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.320,1.290],
"number_observations_unique": 4770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.350,1.320],
"number_observations_unique": 4762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.390,1.350],
"number_observations_unique": 4791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations_unique": 4787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations_unique": 4787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations_unique": 4767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.570,1.510],
"number_observations_unique": 4782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.630,1.570],
"number_observations_unique": 4785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.700,1.630],
"number_observations_unique": 4793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.790,1.700],
"number_observations_unique": 4771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.900,1.790],
"number_observations_unique": 4774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations_unique": 4777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.260,2.050],
"number_observations_unique": 4790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.590,2.260],
"number_observations_unique": 4778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.260,2.590],
"number_observations_unique": 4802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [50.000,3.260],
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.500
}
]
}
]
}