Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad26b1066770aa4d8b3760bdcaebd078",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.894,
"b": 49.566,
"c": 115.233,
"alpha": 90.000,
"beta": 94.949,
"gamma": 90.000
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.820,2.240],
"number_observations": 151130,
"number_observations_unique": 44201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.240],
"number_observations": 13844,
"number_observations_unique": 3992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.425
},
{
"type": "R(meas)",
"value": 1.692
},
{
"type": "R(pim)",
"value": 0.903
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [114.820,8.970],
"number_observations": 2316,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
}
]
}