Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "318e4340bb7f5a719dc36e6c7cc32650",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.507,
"b": 84.189,
"c": 59.095,
"alpha": 90.00,
"beta": 108.16,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.150,1.340],
"number_observations": 435833,
"number_observations_unique": 82714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 262,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 4.600
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [56.150,7.340],
"number_observations": 4789,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}