Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d178801a8e8cf1cc0fc079dbdb1cbe5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.682,
"b": 81.526,
"c": 93.301,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.58,1.54],
"number_observations": 640193,
"number_observations_unique": 93462,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 9.33
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [44.58,4.57],
"number_observations": 24855,
"number_observations_unique": 3645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.53
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.58,3.24],
"number_observations": 43545,
"number_observations_unique": 6468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 30.35
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.58,2.65],
"number_observations": 56258,
"number_observations_unique": 8329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 22.57
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.58,2.30],
"number_observations": 68869,
"number_observations_unique": 9811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 15.64
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [44.58,2.05],
"number_observations": 76914,
"number_observations_unique": 11134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 9.58
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [44.58,1.88],
"number_observations": 83789,
"number_observations_unique": 12258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 4.86
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [44.58,1.74],
"number_observations": 91633,
"number_observations_unique": 13339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 2.15
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [44.58,1.62],
"number_observations": 98864,
"number_observations_unique": 14342,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.437
},
{
"type": "R(meas)",
"value": 1.554
},
{
"type": "I/SigI",
"value": 0.99
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.64
}
]
},
{
"resolution_limits": [44.58,1.53],
"number_observations": 95466,
"number_observations_unique": 14136,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.692
},
{
"type": "R(meas)",
"value": 2.915
},
{
"type": "I/SigI",
"value": 0.46
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
}
]
}