Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3121319495783b056c2ef48ba04ea715",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.906,
"b": 85.941,
"c": 127.518,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,1.730],
"number_observations": 348711,
"number_observations_unique": 53510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 20611,
"number_observations_unique": 3687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [29.320,7.720],
"number_observations": 4249,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 64.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}