Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d7ec71a650776c60471d04d2483ef656",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 84.26,
"b": 84.26,
"c": 133.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.980,2.610],
"number_observations": 337904,
"number_observations_unique": 17224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.610],
"number_observations": 26730,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.856
},
{
"type": "R(meas)",
"value": 1.902
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [37.980,11.670],
"number_observations": 2796,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}