Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ec306feb3924c0f828fea38d406062df",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 84.33,
"b": 84.33,
"c": 132.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.520,2.860],
"number_observations": 253154,
"number_observations_unique": 13083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.860],
"number_observations": 18678,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.832
},
{
"type": "R(meas)",
"value": 1.879
},
{
"type": "R(pim)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [36.520,12.790],
"number_observations": 1988,
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}