Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d68d89ceaa21c587d206ca467634fd40",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 138.613,
"b": 138.613,
"c": 127.347,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.889,1.869],
"number_observations_unique": 116682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.701
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.870],
"number_observations": 184502,
"number_observations_unique": 18623,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.193
},
{
"type": "R(meas)",
"value": 2.313
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.907
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [2.120,1.980],
"number_observations": 170360,
"number_observations_unique": 17603,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.249
},
{
"type": "I/SigI",
"value": 1.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.678
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [2.290,2.120],
"number_observations": 161564,
"number_observations_unique": 16385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.630
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 3.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.860
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.510,2.290],
"number_observations": 149944,
"number_observations_unique": 15138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.905
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.800,2.510],
"number_observations": 132469,
"number_observations_unique": 13723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 9.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.653
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.230,2.800],
"number_observations": 120781,
"number_observations_unique": 12135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 18.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.953
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.950,3.230],
"number_observations": 97601,
"number_observations_unique": 10341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 35.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.438
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.570,3.950],
"number_observations": 72808,
"number_observations_unique": 8091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 48.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.999
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.889,5.570],
"number_observations": 41896,
"number_observations_unique": 4643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 52.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.023
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}