Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b68736d8ed5ee347f3e45261178fb46d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 67.311,
"b": 65.230,
"c": 84.229,
"alpha": 90.00,
"beta": 111.27,
"gamma": 90.00
},
"wavelengths": [0.97720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.21,1.18],
"number_observations_unique": 108183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.13
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.25,1.18],
"number_observations_unique": 10156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "R(meas)",
"value": 1.097
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [1.33,1.25],
"number_observations_unique": 9887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [1.44,1.33],
"number_observations_unique": 9880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [1.58,1.44],
"number_observations_unique": 8948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.76,1.58],
"number_observations_unique": 7649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [2.03,1.76],
"number_observations_unique": 7109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.49,2.03],
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.52,2.49],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.23,3.52],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}