Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbe41e59772a386ef7ba825d09212a3a",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 79.13,
"b": 115.82,
"c": 130.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.834,1.850],
"number_observations": 235094,
"number_observations_unique": 50245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 12.150
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.679
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.850],
"number_observations": 36224,
"number_observations_unique": 7994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.743
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.531
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [2.100,1.960],
"number_observations": 36044,
"number_observations_unique": 7606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.739
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [2.270,2.100],
"number_observations": 33339,
"number_observations_unique": 7080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 5.990
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.709
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.480,2.270],
"number_observations": 30859,
"number_observations_unique": 6507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 8.250
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.742
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.770,2.480],
"number_observations": 28868,
"number_observations_unique": 5964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 11.320
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.840
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 24871,
"number_observations_unique": 5264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 17.280
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.725
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.920,3.200],
"number_observations": 20763,
"number_observations_unique": 4419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.699
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.520,3.920],
"number_observations": 15241,
"number_observations_unique": 3429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.080
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.445
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [33.834,5.520],
"number_observations": 8885,
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 35.430
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.483
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}