Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1af7124d8a4e14e3aa23e48804c0c1b9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 106.65,
"b": 106.65,
"c": 304.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations": 972120,
"number_observations_unique": 78675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 3843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.867
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 3830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.751
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 3819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 3881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 3861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 3883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 3901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 3936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 3927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 3948,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 3975,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 3997,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 4028,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 4088,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}