Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9efb640a9fb533b420e8637cca80b3c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.10,
"b": 27.51,
"c": 56.72,
"alpha": 90.00,
"beta": 100.14,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.170,1.160],
"number_observations": 112361,
"number_observations_unique": 38652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.160],
"number_observations": 1876,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 46.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [36.170,6.350],
"number_observations": 853,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}