Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "11e009a0b5e7635a8f8f4e416357d8d7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.227,
"b": 82.998,
"c": 58.657,
"alpha": 90.00,
"beta": 108.61,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.480,1.740],
"number_observations": 335834,
"number_observations_unique": 51204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 13400,
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.741
},
{
"type": "R(meas)",
"value": 3.067
},
{
"type": "R(pim)",
"value": 1.351
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.273
}
]
},
{
"resolution_limits": [41.480,9.030],
"number_observations": 2408,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 77.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
}
]
}