Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60a0d79e9c8a35e7221edbb86a90d387",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.058,
"b": 81.591,
"c": 93.012,
"alpha": 90.00,
"beta": 108.52,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.7,1.55],
"number_observations": 640280,
"number_observations_unique": 91853,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 14.69
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [42.7,4.62],
"number_observations": 24777,
"number_observations_unique": 3586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 47.87
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.7,3.27],
"number_observations": 44943,
"number_observations_unique": 6361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 45.66
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.7,2.68],
"number_observations": 57165,
"number_observations_unique": 8179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 34.48
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.7,2.32],
"number_observations": 68384,
"number_observations_unique": 9639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 24.62
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.7,2.07],
"number_observations": 75994,
"number_observations_unique": 10875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 15.90
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [42.7,1.89],
"number_observations": 82135,
"number_observations_unique": 11951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 8.60
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [42.7,1.75],
"number_observations": 90138,
"number_observations_unique": 13005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 4.01
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [42.7,1.64],
"number_observations": 96772,
"number_observations_unique": 13843,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.084
},
{
"type": "R(meas)",
"value": 1.17
},
{
"type": "I/SigI",
"value": 1.92
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [42.7,1.55],
"number_observations": 99972,
"number_observations_unique": 14414,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.112
},
{
"type": "R(meas)",
"value": 2.28
},
{
"type": "I/SigI",
"value": 0.95
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
}
]
}