Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9cc49dd62a2216de6a22b1b759308dd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.108,
"b": 133.900,
"c": 213.100,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [133.900,1.780],
"number_observations": 2208219,
"number_observations_unique": 166737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.780],
"number_observations": 294645,
"number_observations_unique": 23946,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.085
},
{
"type": "R(meas)",
"value": 5.305
},
{
"type": "R(pim)",
"value": 1.488
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [133.900,5.640],
"number_observations": 72032,
"number_observations_unique": 5711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}