Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e86ffe5c45496be273271ede003f3ac",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.061,
"b": 59.567,
"c": 79.930,
"alpha": 79.55,
"beta": 81.90,
"gamma": 75.89
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.300,1.980],
"number_observations": 100312,
"number_observations_unique": 57683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 6748,
"number_observations_unique": 4157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [47.300,8.850],
"number_observations": 1284,
"number_observations_unique": 663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}