Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bda47e87db4a4afe18cba5cfc09c2845",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.184,
"b": 43.129,
"c": 73.340,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,0.95],
"number_observations": 1024601,
"number_observations_unique": 148883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [0.97,0.95],
"number_observations_unique": 7025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [0.98,0.97],
"number_observations_unique": 7492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [1.00,0.98],
"number_observations_unique": 7487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [1.02,1.00],
"number_observations_unique": 7435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [1.05,1.02],
"number_observations_unique": 7439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [1.07,1.05],
"number_observations_unique": 7480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [1.10,1.07],
"number_observations_unique": 7497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [1.13,1.10],
"number_observations_unique": 7462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [1.16,1.13],
"number_observations_unique": 7485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [1.20,1.16],
"number_observations_unique": 7498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [1.24,1.20],
"number_observations_unique": 7485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [1.29,1.24],
"number_observations_unique": 7482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [1.35,1.29],
"number_observations_unique": 7531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [1.42,1.35],
"number_observations_unique": 7471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [1.51,1.42],
"number_observations_unique": 7514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [1.62,1.51],
"number_observations_unique": 7502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [1.79,1.62],
"number_observations_unique": 7458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.05,1.79],
"number_observations_unique": 7511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.58,2.05],
"number_observations_unique": 7577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [50.00,2.58],
"number_observations_unique": 7052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 91.3
},
{
"type": "Redundancy",
"value": 6.4
}
]
}
]
}