{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "711d705743dac24687368eb6e0112078",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.492,
"b": 82.314,
"c": 92.191,
"alpha": 90.0,
"beta": 107.4,
"gamma": 90.0
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.990,1.86],
"number_observations": 358792,
"number_observations_unique": 52521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.660
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.826
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.86],
"number_observations": 56805,
"number_observations_unique": 8466,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.288
},
{
"type": "R(meas)",
"value": 2.476
},
{
"type": "I/SigI",
"value": 0.67
},
{
"type": "Completeness",
"value": 0.986
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
},
{
"resolution_limits": [2.11,1.97],
"number_observations": 51157,
"number_observations_unique": 7978,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.054
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.41
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [2.27,2.11],
"number_observations": 48503,
"number_observations_unique": 7418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 3.23
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.54
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.49,2.27],
"number_observations": 49941,
"number_observations_unique": 6879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.61
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.26
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.78,2.49],
"number_observations": 44587,
"number_observations_unique": 6167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 12.12
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.23
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.21,2.78],
"number_observations": 38391,
"number_observations_unique": 5493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 22.40
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.93,3.21],
"number_observations": 29495,
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 37.70
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.34
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.53,3.93],
"number_observations": 24962,
"number_observations_unique": 3620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 53.10
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.90
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.53],
"number_observations": 14951,
"number_observations_unique": 2062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 57.94
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 7.25
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|