Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd0ad8ef6640b6ee3c0b4acfd6b65a51",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.66,
"b": 64.75,
"c": 129.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.71,1.7],
"number_observations_unique": 73715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.06
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.8,1.70],
"number_observations_unique": 11563,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.046
},
{
"type": "R(meas)",
"value": 2.329
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [1.9,1.80],
"number_observations_unique": 9274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [2.1,1.90],
"number_observations_unique": 13691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.48200000000000004
},
{
"type": "R(meas)",
"value": 0.5489999999999999
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [8.0,2.10],
"number_observations_unique": 38488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [14.0,8.00],
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027000000000000003
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [17.0,14.00],
"number_observations_unique": 56,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027000000000000003
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [50.0,17.00],
"number_observations_unique": 66,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028999999999999998
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}