Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f51b7d54a9b52f60946a1cf0bad67dc0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.959,
"b": 82.048,
"c": 93.868,
"alpha": 90.00,
"beta": 108.37,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.78,1.61],
"number_observations": 567770,
"number_observations_unique": 83256,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.12
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [44.78,4.78],
"number_observations": 22053,
"number_observations_unique": 3245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 37.80
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.78,3.39],
"number_observations": 39780,
"number_observations_unique": 5758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 36.12
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.78,2.77],
"number_observations": 50453,
"number_observations_unique": 7410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 26.62
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.78,2.40],
"number_observations": 60903,
"number_observations_unique": 8758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 18.22
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.78,2.15],
"number_observations": 68940,
"number_observations_unique": 9879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 11.70
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [44.78,1.96],
"number_observations": 73599,
"number_observations_unique": 10954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 6.19
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [44.78,1.81],
"number_observations": 80767,
"number_observations_unique": 11863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 2.78
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [44.78,1.70],
"number_observations": 87228,
"number_observations_unique": 12756,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.537
},
{
"type": "R(meas)",
"value": 1.664
},
{
"type": "I/SigI",
"value": 1.20
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
},
{
"resolution_limits": [44.78,1.60],
"number_observations": 84046,
"number_observations_unique": 12632,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.205
},
{
"type": "R(meas)",
"value": 3.474
},
{
"type": "I/SigI",
"value": 0.50
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 6.65
},
{
"type": "CC(1/2)",
"value": 0.286
}
]
}
]
}