Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "03f46859c59987836855bd82f86e10b0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.807,
"b": 81.861,
"c": 92.544,
"alpha": 90.00,
"beta": 107.82,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.05,1.58],
"number_observations": 588279,
"number_observations_unique": 86406,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.27
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.05,4.70],
"number_observations": 22783,
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 40.09
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.05,3.33],
"number_observations": 40333,
"number_observations_unique": 5957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 37.81
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.05,2.73],
"number_observations": 50982,
"number_observations_unique": 7648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 27.64
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.67
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.05,2.36],
"number_observations": 62373,
"number_observations_unique": 9057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 18.55
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.05,2.11],
"number_observations": 71124,
"number_observations_unique": 10232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 11.64
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [44.05,1.93],
"number_observations": 76200,
"number_observations_unique": 11269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 5.86
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [44.05,1.79],
"number_observations": 83824,
"number_observations_unique": 12262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 2.47
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [44.05,1.67],
"number_observations": 90733,
"number_observations_unique": 13179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.572
},
{
"type": "R(meas)",
"value": 1.702
},
{
"type": "I/SigI",
"value": 1.03
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.62
}
]
},
{
"resolution_limits": [44.05,1.58],
"number_observations": 89927,
"number_observations_unique": 13441,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.216
},
{
"type": "R(meas)",
"value": 3.489
},
{
"type": "I/SigI",
"value": 0.43
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.252
}
]
}
]
}