{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "849c60760e16fcf020e556db8342f4ab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.277,
"b": 72.544,
"c": 52.348,
"alpha": 90.0,
"beta": 109.6,
"gamma": 90.0
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.690,1.05],
"number_observations": 1245875,
"number_observations_unique": 133950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.860
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 6.713
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.98,0.93],
"number_observations": 84694,
"number_observations_unique": 35017,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.888
},
{
"type": "R(meas)",
"value": 3.202
},
{
"type": "I/SigI",
"value": 0.44
},
{
"type": "Completeness",
"value": 0.458
},
{
"type": "Redundancy",
"value": 2.42
},
{
"type": "CC(1/2)",
"value": 0.197
}
]
},
{
"resolution_limits": [1.05,0.98],
"number_observations": 158121,
"number_observations_unique": 32862,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.271
},
{
"type": "R(meas)",
"value": 1.389
},
{
"type": "I/SigI",
"value": 1.19
},
{
"type": "Completeness",
"value": 0.780
},
{
"type": "Redundancy",
"value": 4.81
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [1.14,1.05],
"number_observations": 205388,
"number_observations_unique": 30575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 3.16
},
{
"type": "Completeness",
"value": 0.949
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.24,1.14],
"number_observations": 190685,
"number_observations_unique": 28168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 6.17
},
{
"type": "Completeness",
"value": 0.957
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.39,1.24],
"number_observations": 174488,
"number_observations_unique": 25451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 10.10
},
{
"type": "Completeness",
"value": 0.968
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.61,1.39],
"number_observations": 152083,
"number_observations_unique": 22555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 18.51
},
{
"type": "Completeness",
"value": 0.975
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.97,1.61],
"number_observations": 128301,
"number_observations_unique": 19069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 31.71
},
{
"type": "Completeness",
"value": 0.983
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.78,1.97],
"number_observations": 99193,
"number_observations_unique": 14759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 43.86
},
{
"type": "Completeness",
"value": 0.991
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,2.78],
"number_observations": 52922,
"number_observations_unique": 8228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 48.38
},
{
"type": "Completeness",
"value": 0.972
},
{
"type": "Redundancy",
"value": 6.43
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}
|