Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4069ede4d0ca78b7ae644fcf1d7b551a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.20,
"b": 81.20,
"c": 135.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.030,2.090],
"number_observations": 621969,
"number_observations_unique": 31256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 46945,
"number_observations_unique": 2270,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.121
},
{
"type": "R(meas)",
"value": 2.173
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [34.030,9.350],
"number_observations": 5927,
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 53.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}