Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b10b3cfa072ac46ae74c2e0d08e96003",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.673,
"b": 88.673,
"c": 39.392,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.050],
"number_observations": 907353,
"number_observations_unique": 141920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.393
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 140706,
"number_observations_unique": 22657,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.003
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "I/SigI",
"value": 1.020
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.210
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 137540,
"number_observations_unique": 21511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.394
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 129187,
"number_observations_unique": 20022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.452
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 121649,
"number_observations_unique": 18469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.587
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 110232,
"number_observations_unique": 16709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 8.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.597
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 96719,
"number_observations_unique": 14776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 13.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.546
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 76700,
"number_observations_unique": 12514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 18.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.129
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 60541,
"number_observations_unique": 9759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 22.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.204
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.340,3.150],
"number_observations": 34079,
"number_observations_unique": 5503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 24.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.193
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}