Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04ffdad934438e16d153c15af91a8ee2",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 54.125,
"b": 54.125,
"c": 196.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97711],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.560],
"number_observations_unique": 21447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.59,1.56],
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.890
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.50
}
]
},
{
"resolution_limits": [1.62,1.59],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.90
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 16.40
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 17.10
}
]
},
{
"resolution_limits": [1.72,1.68],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.20
}
]
},
{
"resolution_limits": [1.76,1.72],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.70
}
]
},
{
"resolution_limits": [1.80,1.76],
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.90
}
]
},
{
"resolution_limits": [1.85,1.80],
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.80
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.80
}
]
},
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.70
}
]
},
{
"resolution_limits": [2.04,1.97],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.70
}
]
},
{
"resolution_limits": [2.12,2.04],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.60
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.60
}
]
},
{
"resolution_limits": [2.33,2.21],
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.30
}
]
},
{
"resolution_limits": [2.48,2.33],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.20
}
]
},
{
"resolution_limits": [2.67,2.48],
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 17.80
}
]
},
{
"resolution_limits": [2.94,2.67],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 17.30
}
]
},
{
"resolution_limits": [3.36,2.94],
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 16.70
}
]
},
{
"resolution_limits": [4.23,3.36],
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 17.20
}
]
},
{
"resolution_limits": [40.00,4.23],
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 15.70
}
]
}
]
}