Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c91cbb713395da1126b90a3132454b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.727,
"b": 180.057,
"c": 202.086,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.680,2.800],
"number_observations_unique": 53946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.890,2.800],
"number_observations": 55507,
"number_observations_unique": 4521,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.880
},
{
"type": "R(meas)",
"value": 1.961
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [29.680,11.540],
"number_observations": 10199,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}