Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b351911dcba04d03fc880df3d61a9243",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 91.849,
"b": 92.040,
"c": 71.621,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.139,1.778],
"number_observations_unique": 18168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.962,1.778],
"number_observations": 5299,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.075
},
{
"type": "R(meas)",
"value": 1.181
},
{
"type": "R(pim)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 64.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
{
"resolution_limits": [48.139,5.848],
"number_observations": 5477,
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 66.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}