Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d0ac3abd75a58ed8ea3e4cc9a756f9a",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 106.562,
"b": 71.896,
"c": 113.688,
"alpha": 90.00,
"beta": 108.32,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.550,1.850],
"number_observations": 243523,
"number_observations_unique": 69190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 15191,
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.966
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [44.550,9.060],
"number_observations": 2129,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}