Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fdbcd5fd608476d3aec5e246aa37df9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 107.29,
"b": 114.12,
"c": 112.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.430,2.700],
"number_observations_unique": 36640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 16901,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.292
},
{
"type": "R(meas)",
"value": 1.400
},
{
"type": "R(pim)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [48.430,8.960],
"number_observations": 3923,
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 59.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}