Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d22a8cc91d17a1f81d57cd8f394f755",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.391,
"b": 81.534,
"c": 93.004,
"alpha": 90.00,
"beta": 108.45,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.11,1.68],
"number_observations": 474674,
"number_observations_unique": 70960,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.77
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.11,5.00],
"number_observations": 19286,
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 43.82
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.11,3.54],
"number_observations": 34699,
"number_observations_unique": 4964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.36
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.11,2.90],
"number_observations": 42081,
"number_observations_unique": 6348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.92
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.11,2.51],
"number_observations": 50609,
"number_observations_unique": 7474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 17.26
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.11,2.25],
"number_observations": 59378,
"number_observations_unique": 8438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 11.24
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [44.11,2.05],
"number_observations": 63470,
"number_observations_unique": 9281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 6.12
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [44.11,1.90],
"number_observations": 66731,
"number_observations_unique": 9984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.69
},
{
"type": "I/SigI",
"value": 2.95
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 6.68
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [44.11,1.78],
"number_observations": 69699,
"number_observations_unique": 10721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.637
},
{
"type": "I/SigI",
"value": 1.22
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [44.11,1.68],
"number_observations": 68721,
"number_observations_unique": 10938,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.979
},
{
"type": "R(meas)",
"value": 3.247
},
{
"type": "I/SigI",
"value": 0.58
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 6.28
},
{
"type": "CC(1/2)",
"value": 0.253
}
]
}
]
}