Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "673338e9e78942a7ba76609a21c09a55",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.732,
"b": 88.732,
"c": 39.434,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.680,1.150],
"number_observations": 720922,
"number_observations_unique": 108816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.950
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.625
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 117187,
"number_observations_unique": 17470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.708
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 112131,
"number_observations_unique": 16533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 4.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 99648,
"number_observations_unique": 15203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.554
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 99361,
"number_observations_unique": 14176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 9.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.009
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.720,1.540],
"number_observations": 86288,
"number_observations_unique": 12858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 13.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.711
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.990,1.720],
"number_observations": 68770,
"number_observations_unique": 11226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 17.050
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.126
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.440,1.990],
"number_observations": 62615,
"number_observations_unique": 9635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 20.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.499
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.440,2.440],
"number_observations": 46717,
"number_observations_unique": 7502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 21.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.227
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [39.680,3.440],
"number_observations": 28205,
"number_observations_unique": 4213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.520
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.695
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}