Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed8ff8dafc4571b83a7365c27c5e0a48",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.306,
"b": 81.394,
"c": 55.534,
"alpha": 90.00,
"beta": 108.01,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.840,1.980],
"number_observations": 198825,
"number_observations_unique": 29288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 11756,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [47.840,9.070],
"number_observations": 2165,
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}