Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb6bc7ba10fa1878dde76a6ecf360d86",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.20,
"b": 117.76,
"c": 170.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.29,2.39],
"number_observations": 88644658,
"number_observations_unique": 56844,
"quality_factors": [
{
"type": "I/SigI",
"value": 12.937195
},
{
"type": "Completeness",
"value": 100.000000
},
{
"type": "Redundancy",
"value": 1559.437372
},
{
"type": "CC(1/2)",
"value": 0.9946901
}
]
},
"refln_shells": [
{
"resolution_limits": [6.4683,5.1414],
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "I/SigI",
"value": 29.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2985.1
},
{
"type": "CC(1/2)",
"value": 0.995752
}
]
},
{
"resolution_limits": [5.1414,4.4944],
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "I/SigI",
"value": 30.21
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2570.0
},
{
"type": "CC(1/2)",
"value": 0.995244
}
]
},
{
"resolution_limits": [4.4944,4.085],
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "I/SigI",
"value": 28.18
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2284.1
},
{
"type": "CC(1/2)",
"value": 0.995926
}
]
},
{
"resolution_limits": [4.085,3.7922],
"number_observations_unique": 2862,
"quality_factors": [
{
"type": "I/SigI",
"value": 26.05
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2133.2
},
{
"type": "CC(1/2)",
"value": 0.993802
}
]
},
{
"resolution_limits": [3.7922,3.5689],
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2017.6
},
{
"type": "CC(1/2)",
"value": 0.99463
}
]
},
{
"resolution_limits": [3.5689,3.391],
"number_observations_unique": 2841,
"quality_factors": [
{
"type": "I/SigI",
"value": 19.04
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1893.6
},
{
"type": "CC(1/2)",
"value": 0.99427
}
]
},
{
"resolution_limits": [3.391,3.2425],
"number_observations_unique": 2841,
"quality_factors": [
{
"type": "I/SigI",
"value": 15.05
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1785.9
},
{
"type": "CC(1/2)",
"value": 0.998067
}
]
},
{
"resolution_limits": [3.2425,3.1182],
"number_observations_unique": 2806,
"quality_factors": [
{
"type": "I/SigI",
"value": 11.48
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1667.2
},
{
"type": "CC(1/2)",
"value": 0.988496
}
]
},
{
"resolution_limits": [3.1182,3.0111],
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "I/SigI",
"value": 9.46
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1537.5
},
{
"type": "CC(1/2)",
"value": 0.988538
}
]
},
{
"resolution_limits": [3.0111,2.9163],
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.26
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1398.2
},
{
"type": "CC(1/2)",
"value": 0.980216
}
]
},
{
"resolution_limits": [2.9163,2.8337],
"number_observations_unique": 2839,
"quality_factors": [
{
"type": "I/SigI",
"value": 5.92
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1258.9
},
{
"type": "CC(1/2)",
"value": 0.964482
}
]
},
{
"resolution_limits": [2.8337,2.7586],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.96
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1125.4
},
{
"type": "CC(1/2)",
"value": 0.966147
}
]
},
{
"resolution_limits": [2.7586,2.6918],
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.94
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 965.0
},
{
"type": "CC(1/2)",
"value": 0.938514
}
]
},
{
"resolution_limits": [2.6918,2.6302],
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.28
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 790.6
},
{
"type": "CC(1/2)",
"value": 0.927192
}
]
},
{
"resolution_limits": [2.6302,2.5747],
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.75
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 642.0
},
{
"type": "CC(1/2)",
"value": 0.753902
}
]
},
{
"resolution_limits": [2.5747,2.5227],
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.12
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 524.8
},
{
"type": "CC(1/2)",
"value": 0.839758
}
]
},
{
"resolution_limits": [2.5227,2.4752],
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.65
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 433.1
},
{
"type": "CC(1/2)",
"value": 0.759125
}
]
},
{
"resolution_limits": [2.4752,2.4313],
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.08
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 375.1
},
{
"type": "CC(1/2)",
"value": 0.702414
}
]
},
{
"resolution_limits": [2.4313,2.3901],
"number_observations_unique": 2839,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.84
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 320.5
},
{
"type": "CC(1/2)",
"value": 0.563694
}
]
}
]
}