Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b31e4b974245cbed52b4347b51e674e2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.721,
"b": 82.085,
"c": 93.626,
"alpha": 90.00,
"beta": 108.34,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.760,1.59],
"number_observations": 574836,
"number_observations_unique": 79875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.910
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.832
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.59],
"number_observations": 86185,
"number_observations_unique": 13666,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.506
},
{
"type": "R(meas)",
"value": 2.715
},
{
"type": "I/SigI",
"value": 0.63
},
{
"type": "Completeness",
"value": 0.938
},
{
"type": "Redundancy",
"value": 6.31
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
},
{
"resolution_limits": [1.81,1.69],
"number_observations": 88271,
"number_observations_unique": 12905,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.295
},
{
"type": "R(meas)",
"value": 1.400
},
{
"type": "I/SigI",
"value": 1.36
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [1.95,1.81],
"number_observations": 81541,
"number_observations_unique": 12067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 3.06
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.14,1.95],
"number_observations": 73341,
"number_observations_unique": 10994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 6.91
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.67
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.39,2.14],
"number_observations": 69205,
"number_observations_unique": 10023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 13.02
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.90
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.76,2.39],
"number_observations": 61833,
"number_observations_unique": 8885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 20.15
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.37,2.76],
"number_observations": 51451,
"number_observations_unique": 7500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 28.65
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.75,3.37],
"number_observations": 40523,
"number_observations_unique": 5809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 37.03
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,4.75],
"number_observations": 22486,
"number_observations_unique": 3311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 38.01
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}