{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68f3282677aa27e7b74267395efb4c32",
"space_group_name": "P 1",
"unit_cell": {
"a": 65.910,
"b": 110.464,
"c": 162.836,
"alpha": 82.20,
"beta": 77.98,
"gamma": 72.81
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.091],
"number_observations_unique": 76211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.21,3.10],
"number_observations_unique": 7644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [3.34,3.21],
"number_observations_unique": 7685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.49,3.34],
"number_observations_unique": 7554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.68,3.49],
"number_observations_unique": 7585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.91,3.68],
"number_observations_unique": 7525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.21,3.91],
"number_observations_unique": 7607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.63,4.21],
"number_observations_unique": 7681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [5.30,4.63],
"number_observations_unique": 7618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [6.67,5.30],
"number_observations_unique": 7649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [50.00,6.67],
"number_observations_unique": 7663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}
|