Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d1a57328b9f5ac432a409eae2244d83",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.212,
"b": 73.285,
"c": 52.791,
"alpha": 90.00,
"beta": 109.77,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.548,1.10],
"number_observations_unique": 130568,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.890
},
{
"type": "Completeness",
"value": 99.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.10],
"number_observations": 139053,
"number_observations_unique": 21208,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.901
},
{
"type": "R(meas)",
"value": 2.055
},
{
"type": "I/SigI",
"value": 0.74
},
{
"type": "Completeness",
"value": 0.971
},
{
"type": "Redundancy",
"value": 6.56
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
},
{
"resolution_limits": [1.25,1.17],
"number_observations": 135832,
"number_observations_unique": 19900,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.295
},
{
"type": "R(meas)",
"value": 1.399
},
{
"type": "I/SigI",
"value": 1.17
},
{
"type": "Completeness",
"value": 0.991
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [1.35,1.25],
"number_observations": 128766,
"number_observations_unique": 18618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 1.005
},
{
"type": "I/SigI",
"value": 1.73
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [1.47,1.35],
"number_observations": 117451,
"number_observations_unique": 17120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 3.09
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [1.65,1.47],
"number_observations": 105731,
"number_observations_unique": 15462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 5.79
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.90,1.65],
"number_observations": 94677,
"number_observations_unique": 13695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 11.17
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.33,1.90],
"number_observations": 80869,
"number_observations_unique": 11592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 20.60
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.29,2.33],
"number_observations": 62756,
"number_observations_unique": 8993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 27.88
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,3.29],
"number_observations": 35193,
"number_observations_unique": 5020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 35.38
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 7.01
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}