Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85e02e590da2f07d80ca02fe89f71eaa",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.790,
"b": 89.009,
"c": 163.530,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.500,1.450],
"number_observations": 431552,
"number_observations_unique": 64706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 20863,
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.145
},
{
"type": "R(pim)",
"value": 0.875
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.275
}
]
},
{
"resolution_limits": [44.500,7.940],
"number_observations": 2589,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}