Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6afead62c4fca03dc3c4cf64d1b82fa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.045,
"b": 82.036,
"c": 93.428,
"alpha": 90.00,
"beta": 108.29,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.02,1.53],
"number_observations": 663616,
"number_observations_unique": 95092,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.98
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [41.02,4.55],
"number_observations": 25588,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 53.55
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [41.02,3.23],
"number_observations": 45394,
"number_observations_unique": 6614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 49.47
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.02,2.64],
"number_observations": 58512,
"number_observations_unique": 8508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 34.76
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.02,2.29],
"number_observations": 71062,
"number_observations_unique": 10041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.72
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [41.02,2.05],
"number_observations": 78414,
"number_observations_unique": 11302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 13.07
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [41.02,1.87],
"number_observations": 86514,
"number_observations_unique": 12442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 6.10
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [41.02,1.73],
"number_observations": 94007,
"number_observations_unique": 13402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 2.48
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 7.01
},
{
"type": "CC(1/2)",
"value": 0.92
}
]
},
{
"resolution_limits": [41.02,1.62],
"number_observations": 102234,
"number_observations_unique": 14453,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "I/SigI",
"value": 1.05
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [41.02,1.52],
"number_observations": 101891,
"number_observations_unique": 14598,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.498
},
{
"type": "R(meas)",
"value": 2.694
},
{
"type": "I/SigI",
"value": 0.42
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
}
]
}