Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d6f337364fba214f86ba4df2c50da7e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.88,
"b": 113.88,
"c": 88.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.84,1.6],
"number_observations_unique": 168918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.11699999999999999
},
{
"type": "I/SigI",
"value": 9.07
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.60],
"number_observations_unique": 27234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.8420000000000001
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [1.81,1.69],
"number_observations_unique": 25673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.96,1.81],
"number_observations_unique": 23878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.32799999999999996
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.14,1.96],
"number_observations_unique": 22020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.19699999999999998
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.39,2.14],
"number_observations_unique": 19885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.76,2.39],
"number_observations_unique": 17586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [3.38,2.76],
"number_observations_unique": 14817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [4.77,3.38],
"number_observations_unique": 11474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [47.84,4.77],
"number_observations_unique": 6350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}