Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30c6f476ba6cf95382ae5bab3c663bf7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.578,
"b": 36.814,
"c": 177.303,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.330,1.620],
"number_observations": 132988,
"number_observations_unique": 28154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 6538,
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.864
},
{
"type": "R(meas)",
"value": 2.092
},
{
"type": "R(pim)",
"value": 0.934
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.241
}
]
},
{
"resolution_limits": [44.330,8.870],
"number_observations": 747,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 61.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}