Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8df0e7f129bcaab3e9b4e241bc312229",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.93,
"b": 89.67,
"c": 97.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.760,1.920],
"number_observations": 205882,
"number_observations_unique": 32784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 13629,
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [38.760,9.010],
"number_observations": 2004,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}