Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "969a512ea64a5ebf3214b31b788d371c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.734,
"b": 113.500,
"c": 192.813,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.540,2.199],
"number_observations_unique": 91758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.09699999999999999
},
{
"type": "I/SigI",
"value": 17.44
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.20],
"number_observations_unique": 7715,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "CC(1/2)",
"value": 0.6409999999999999
}
]
},
{
"resolution_limits": [2.49,2.33],
"number_observations_unique": 7312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.69,2.49],
"number_observations_unique": 6837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "CC(1/2)",
"value": 0.9590000000000001
}
]
},
{
"resolution_limits": [2.95,2.69],
"number_observations_unique": 6274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.28600000000000003
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.29,2.95],
"number_observations_unique": 5762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.8,3.29],
"number_observations_unique": 5075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.08199999999999999
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.64,3.80],
"number_observations_unique": 4356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [6.53,4.64],
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [42.540,6.53],
"number_observations_unique": 2051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037000000000000005
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}