Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ea30f6ebe13114624634d21be21899b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.592,
"b": 84.622,
"c": 59.227,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.840,1.820],
"number_observations": 312708,
"number_observations_unique": 46517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 14150,
"number_observations_unique": 2686,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.963
},
{
"type": "R(meas)",
"value": 5.517
},
{
"type": "R(pim)",
"value": 2.375
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [52.840,9.110],
"number_observations": 2385,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}