Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4286c161f450a5653b9dd5f9cd1a48cb",
"space_group_name": "P 61",
"unit_cell": {
"a": 97.217,
"b": 97.217,
"c": 131.561,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.690],
"number_observations": 135322,
"number_observations_unique": 19499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.790,2.740],
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.840,2.790],
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.900,2.840],
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.110,3.030],
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.190,3.110],
"number_observations_unique": 969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.280,3.190],
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.390,3.280],
"number_observations_unique": 962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.510,3.390],
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.650,3.510],
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.820,3.650],
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.020,3.820],
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.270,4.020],
"number_observations_unique": 969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.600,4.270],
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.060,4.600],
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [5.790,5.060],
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [7.290,5.790],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,7.290],
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
}
]
}