Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6200a6ac808f7c5b2fa1ff273c2c5dee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.61,
"b": 131.14,
"c": 85.44,
"alpha": 90.00,
"beta": 99.93,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.910,1.900],
"number_observations": 1055272,
"number_observations_unique": 140666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 14.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.502
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 10364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 4.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.596
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 10127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.595
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 9852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.605
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 9584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 7.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.609
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 8.930
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.616
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 8970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 10.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.623
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 8670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 11.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.616
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 8325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 12.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.623
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 7978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 13.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.621
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 7631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 15.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.595
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 7291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 17.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.573
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 6856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 19.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.543
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 6490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.453
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 6016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 25.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.362
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 5530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 27.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.258
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 5044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 29.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.189
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 31.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.076
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 3766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 30.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.123
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 2917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 30.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.049
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [45.910,8.500],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 32.160
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.372
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}