Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4aea49ab50de7257557f4fd93aa1c81c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 99.870,
"b": 109.672,
"c": 135.242,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.810,2.410],
"number_observations_unique": 57881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 8343,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.175
},
{
"type": "R(meas)",
"value": 2.354
},
{
"type": "R(pim)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [64.810,7.630],
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}