Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f80376a9d0d0f4e7b84d2a09dd0b818",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.667,
"b": 88.667,
"c": 39.151,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.650,1.150],
"number_observations": 716643,
"number_observations_unique": 107905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.641
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 115210,
"number_observations_unique": 17293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.662
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 110506,
"number_observations_unique": 16352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 3.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.758
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 97700,
"number_observations_unique": 15180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.436
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 98466,
"number_observations_unique": 14002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.032
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.730,1.540],
"number_observations": 86690,
"number_observations_unique": 12695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 11.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.829
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.990,1.730],
"number_observations": 70271,
"number_observations_unique": 11232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 16.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.256
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.440,1.990],
"number_observations": 63111,
"number_observations_unique": 9530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 21.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.622
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.440,2.440],
"number_observations": 46329,
"number_observations_unique": 7408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 23.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.254
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [39.650,3.440],
"number_observations": 28360,
"number_observations_unique": 4213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 25.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.732
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}