Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "370f838eaf6c89c6bcb719d1da0a1c6d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.411,
"b": 65.849,
"c": 84.369,
"alpha": 90.00,
"beta": 93.72,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.270,1.520],
"number_observations": 309306,
"number_observations_unique": 113221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 10935,
"number_observations_unique": 6706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.545
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [84.270,6.800],
"number_observations": 4350,
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
}
]
}