Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a9701206e9aa73a853fbcc0db311dae",
"space_group_name": "P 1",
"unit_cell": {
"a": 79.663,
"b": 87.933,
"c": 91.639,
"alpha": 114.83,
"beta": 104.12,
"gamma": 105.39
},
"wavelengths": [0.97964],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.670,1.680],
"number_observations": 3103914,
"number_observations_unique": 219506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 143999,
"number_observations_unique": 10395,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.454
},
{
"type": "R(meas)",
"value": 4.635
},
{
"type": "R(pim)",
"value": 1.249
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [39.670,9.190],
"number_observations": 20801,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}