Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91e577f67299750d262130bd9b8e6f0c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.618,
"b": 81.972,
"c": 93.646,
"alpha": 90.00,
"beta": 108.37,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.44,1.59],
"number_observations": 371404,
"number_observations_unique": 74756,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.56
},
{
"type": "Completeness",
"value": 87.0
},
{
"type": "Redundancy",
"value": 4.97
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [44.44,4.74],
"number_observations": 22781,
"number_observations_unique": 3313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 28.91
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.44,3.36],
"number_observations": 41322,
"number_observations_unique": 5861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 29.23
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.44,2.74],
"number_observations": 48546,
"number_observations_unique": 7495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.80
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.48
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.44,2.38],
"number_observations": 51933,
"number_observations_unique": 8777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 23.32
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 5.92
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.44,2.13],
"number_observations": 49713,
"number_observations_unique": 9682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 18.61
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 5.13
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [44.44,1.94],
"number_observations": 43285,
"number_observations_unique": 10052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 12.85
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 4.31
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [44.44,1.80],
"number_observations": 39712,
"number_observations_unique": 10075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 8.32
},
{
"type": "Completeness",
"value": 83.0
},
{
"type": "Redundancy",
"value": 3.94
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [44.44,1.68],
"number_observations": 37991,
"number_observations_unique": 9934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 5.69
},
{
"type": "Completeness",
"value": 76.4
},
{
"type": "Redundancy",
"value": 3.82
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [44.44,1.59],
"number_observations": 36121,
"number_observations_unique": 9567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 4.30
},
{
"type": "Completeness",
"value": 69.3
},
{
"type": "Redundancy",
"value": 3.78
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
}
]
}