Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a464ff180a933bf2680d2ac7eca2c18b",
"space_group_name": "P 1",
"unit_cell": {
"a": 57.88,
"b": 87.98,
"c": 122.79,
"alpha": 80.23,
"beta": 76.44,
"gamma": 76.39
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.47,2.490],
"number_observations_unique": 77488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.490],
"number_observations": 57841,
"number_observations_unique": 5398,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.845
},
{
"type": "R(meas)",
"value": 2.986
},
{
"type": "R(pim)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [46.410,11.150],
"number_observations": 9133,
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 71.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}