Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0093208bfab1654c1c8a603dcd90f7ee",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.547,
"b": 98.547,
"c": 81.894,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.672,1.72],
"number_observations_unique": 47892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 20.46
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.82,1.72],
"number_observations_unique": 15111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [1.94,1.82],
"number_observations_unique": 14171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.1,1.94],
"number_observations_unique": 13342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.3,2.10],
"number_observations_unique": 12249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.57,2.30],
"number_observations_unique": 11104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.97,2.57],
"number_observations_unique": 9845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.63,2.97],
"number_observations_unique": 8330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.11,3.63],
"number_observations_unique": 6459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [42.672,5.11],
"number_observations_unique": 3567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}