Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e418f8c1f2e1d40a01e62f588ea4cae6",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.695,
"b": 113.695,
"c": 87.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.28,1.79],
"number_observations_unique": 120708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 33.42
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 20.5
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.89,1.79],
"number_observations_unique": 19436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.02,1.89],
"number_observations_unique": 18344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10800000000000001
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.19,2.02],
"number_observations_unique": 17106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.39,2.19],
"number_observations_unique": 15739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.68,2.39],
"number_observations_unique": 14148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055999999999999994
},
{
"type": "R(meas)",
"value": 0.057999999999999996
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [3.09,2.68],
"number_observations_unique": 12600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [3.78,3.09],
"number_observations_unique": 10615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037000000000000005
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [5.33,3.78],
"number_observations_unique": 8176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [34.28,5.33],
"number_observations_unique": 4544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}