Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7530be93c1639af05598c6a057e0d9a1",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.723,
"b": 88.723,
"c": 39.478,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.680,1.000],
"number_observations": 1044225,
"number_observations_unique": 164997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.329
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 147235,
"number_observations_unique": 26080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 1.880
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.646
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158781,
"number_observations_unique": 25045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.340
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 154795,
"number_observations_unique": 23372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 7.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.623
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 137420,
"number_observations_unique": 21473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 10.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131966,
"number_observations_unique": 19479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 16.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 111061,
"number_observations_unique": 17238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.443
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 93484,
"number_observations_unique": 14589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 37.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.408
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 69201,
"number_observations_unique": 11320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.113
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.680,3.000],
"number_observations": 40282,
"number_observations_unique": 6401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.293
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}