Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62d48ad5b07c38e859458352ed93afd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.529,
"b": 114.610,
"c": 83.596,
"alpha": 90.00,
"beta": 91.23,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.580,2.880],
"number_observations": 158295,
"number_observations_unique": 22858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.040,2.880],
"number_observations": 23524,
"number_observations_unique": 3330,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.329
},
{
"type": "R(meas)",
"value": 3.595
},
{
"type": "R(pim)",
"value": 1.347
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.436
}
]
},
{
"resolution_limits": [83.580,9.110],
"number_observations": 5045,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}