Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7a56ebbe7a006e957eea38b74320920a",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 186.61,
"b": 88.77,
"c": 156.90,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.01],
"number_observations_unique": 110213,
"quality_factors": [
{
"type": "I/SigI",
"value": 5.13
},
{
"type": "Completeness",
"value": 98.46
},
{
"type": "Redundancy",
"value": 12.35
},
{
"type": "CC(1/2)",
"value": 0.9506
}
]
},
"refln_shells": [
{
"resolution_limits": [8.87,6.32],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1789
},
{
"type": "I/SigI",
"value": 14.35
},
{
"type": "CC(1/2)",
"value": 0.9858
}
]
},
{
"resolution_limits": [6.32,5.18],
"number_observations_unique": 4341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2168
},
{
"type": "I/SigI",
"value": 10.47
},
{
"type": "CC(1/2)",
"value": 0.9756
}
]
},
{
"resolution_limits": [5.18,4.49],
"number_observations_unique": 5079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2272
},
{
"type": "I/SigI",
"value": 11.83
},
{
"type": "CC(1/2)",
"value": 0.9778
}
]
},
{
"resolution_limits": [4.49,4.02],
"number_observations_unique": 5746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2699
},
{
"type": "I/SigI",
"value": 11.31
},
{
"type": "CC(1/2)",
"value": 0.9688
}
]
},
{
"resolution_limits": [4.02,3.67],
"number_observations_unique": 6305,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.17
},
{
"type": "CC(1/2)",
"value": 0.9467
}
]
},
{
"resolution_limits": [3.67,3.4],
"number_observations_unique": 6818,
"quality_factors": [
{
"type": "I/SigI",
"value": 6.21
},
{
"type": "CC(1/2)",
"value": 0.8928
}
]
},
{
"resolution_limits": [3.4,3.18],
"number_observations_unique": 7305,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.77
},
{
"type": "CC(1/2)",
"value": 0.8184
}
]
},
{
"resolution_limits": [3.18,3],
"number_observations_unique": 7764,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.88
},
{
"type": "CC(1/2)",
"value": 0.7343
}
]
},
{
"resolution_limits": [3,2.85],
"number_observations_unique": 8187,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.6274
}
]
},
{
"resolution_limits": [2.85,2.71],
"number_observations_unique": 8602,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.44
},
{
"type": "CC(1/2)",
"value": 0.4675
}
]
},
{
"resolution_limits": [2.71,2.6],
"number_observations_unique": 8979,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.94
},
{
"type": "CC(1/2)",
"value": 0.3434
}
]
},
{
"resolution_limits": [2.6,2.5],
"number_observations_unique": 9355,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.58
},
{
"type": "CC(1/2)",
"value": 0.2434
}
]
},
{
"resolution_limits": [2.5,2.41],
"number_observations_unique": 9694,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.31
},
{
"type": "CC(1/2)",
"value": 0.1671
}
]
},
{
"resolution_limits": [2.41,2.32],
"number_observations_unique": 10042,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.96
},
{
"type": "CC(1/2)",
"value": 0.1478
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 10403,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.94
},
{
"type": "CC(1/2)",
"value": 0.0669
}
]
},
{
"resolution_limits": [2.25,2.18],
"number_observations_unique": 10676,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.82
},
{
"type": "CC(1/2)",
"value": 0.0463
}
]
},
{
"resolution_limits": [2.18,2.12],
"number_observations_unique": 11004,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.71
},
{
"type": "CC(1/2)",
"value": 0.0619
}
]
},
{
"resolution_limits": [2.12,2.07],
"number_observations_unique": 11319,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.67
},
{
"type": "CC(1/2)",
"value": 0.0263
}
]
},
{
"resolution_limits": [2.07,2.01],
"number_observations_unique": 11590,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.51
},
{
"type": "CC(1/2)",
"value": 0.0267
}
]
}
]
}