Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "14e297915a042ab1d394b15a7ff5395b",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.774,
"b": 82.774,
"c": 133.817,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [133.820,2.810],
"number_observations": 258982,
"number_observations_unique": 13446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.810],
"number_observations": 19338,
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.629
},
{
"type": "R(meas)",
"value": 2.697
},
{
"type": "R(pim)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [133.820,12.570],
"number_observations": 2538,
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}