Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c88f92151909d4f276fdfb02765e9bb",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.761,
"b": 88.761,
"c": 39.350,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.700,1.010],
"number_observations": 1010823,
"number_observations_unique": 159689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.330
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.010],
"number_observations": 150972,
"number_observations_unique": 25112,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.069
},
{
"type": "R(meas)",
"value": 2.264
},
{
"type": "I/SigI",
"value": 0.440
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.012
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [1.150,1.070],
"number_observations": 151456,
"number_observations_unique": 24272,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.006
},
{
"type": "R(meas)",
"value": 1.098
},
{
"type": "I/SigI",
"value": 0.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.240
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [1.240,1.150],
"number_observations": 150071,
"number_observations_unique": 22605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.639
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.360,1.240],
"number_observations": 132891,
"number_observations_unique": 20834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.379
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.520,1.360],
"number_observations": 127174,
"number_observations_unique": 18892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 4.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.732
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.750,1.520],
"number_observations": 106543,
"number_observations_unique": 16648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 7.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.140,1.750],
"number_observations": 88307,
"number_observations_unique": 14124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.252
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.020,2.140],
"number_observations": 65286,
"number_observations_unique": 11011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.929
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [39.700,3.020],
"number_observations": 38123,
"number_observations_unique": 6191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 16.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.158
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}