Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "918917264da4f74e1807b6533be7ce77",
"space_group_name": "I 4",
"unit_cell": {
"a": 116.148,
"b": 116.148,
"c": 128.136,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.490],
"number_observations_unique": 240271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 20.574
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 9459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "Completeness",
"value": 69.90
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [1.54,1.52],
"number_observations_unique": 11412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [1.57,1.54],
"number_observations_unique": 12230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 90.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [1.61,1.57],
"number_observations_unique": 12371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.64,1.61],
"number_observations_unique": 12366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "Completeness",
"value": 91.70
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.68,1.64],
"number_observations_unique": 12483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 91.40
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.72,1.68],
"number_observations_unique": 12380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 91.90
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.77,1.72],
"number_observations_unique": 12380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 91.40
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.82,1.77],
"number_observations_unique": 12377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.88,1.82],
"number_observations_unique": 12341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 91.10
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.94,1.88],
"number_observations_unique": 12271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 91.10
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.02,1.94],
"number_observations_unique": 12380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 91.00
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.11,2.02],
"number_observations_unique": 12230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 90.60
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.23,2.11],
"number_observations_unique": 12231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 90.30
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.37,2.23],
"number_observations_unique": 12235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 90.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.55,2.37],
"number_observations_unique": 12047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 89.40
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.80,2.55],
"number_observations_unique": 12054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 88.80
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.21,2.80],
"number_observations_unique": 11828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 87.50
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [4.04,3.21],
"number_observations_unique": 11656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 86.00
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [50.00,4.04],
"number_observations_unique": 11540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 85.20
},
{
"type": "Redundancy",
"value": 2.80
}
]
}
]
}