Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c59fd7a5c88605c0168434a2ae71baf4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 120.550,
"b": 179.497,
"c": 234.430,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.21,3.100],
"number_observations_unique": 46257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations": 19672,
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.201
},
{
"type": "R(meas)",
"value": 1.353
},
{
"type": "R(pim)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [117.210,12.010],
"number_observations": 3259,
"number_observations_unique": 854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}