Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "222431ea82907d9b1d68bb35404f96d1",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 106.928,
"b": 106.928,
"c": 369.259,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.040,2.990],
"number_observations": 487418,
"number_observations_unique": 26401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.170,2.990],
"number_observations": 70198,
"number_observations_unique": 4115,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.403
},
{
"type": "R(meas)",
"value": 3.509
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [49.040,8.970],
"number_observations": 18573,
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}