{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d22566ad6ebd677b624a5229d21e945",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.712,
"b": 82.557,
"c": 92.654,
"alpha": 90.00,
"beta": 107.94,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.510,1.79],
"number_observations": 409516,
"number_observations_unique": 59907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 18.920
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.827
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.79],
"number_observations": 65859,
"number_observations_unique": 9665,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.545
},
{
"type": "R(meas)",
"value": 2.754
},
{
"type": "I/SigI",
"value": 0.63
},
{
"type": "Completeness",
"value": 0.987
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.354
}
]
},
{
"resolution_limits": [2.03,1.90],
"number_observations": 61716,
"number_observations_unique": 9084,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.147
},
{
"type": "R(meas)",
"value": 1.243
},
{
"type": "I/SigI",
"value": 1.48
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [2.19,2.03],
"number_observations": 52338,
"number_observations_unique": 8456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 3.34
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.19
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.40,2.19],
"number_observations": 55689,
"number_observations_unique": 7840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 7.78
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.10
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.68,2.40],
"number_observations": 51090,
"number_observations_unique": 7061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 15.71
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.24
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.09,2.68],
"number_observations": 44027,
"number_observations_unique": 6268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 29.77
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.78,3.09],
"number_observations": 34515,
"number_observations_unique": 5316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 50.45
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.49
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.33,3.78],
"number_observations": 27241,
"number_observations_unique": 4110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 68.93
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.33],
"number_observations": 17041,
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 76.06
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|