Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d00353b49f11a5b41695f3d438cb037",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 98.189,
"b": 162.548,
"c": 115.662,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.640,2.200],
"number_observations": 435511,
"number_observations_unique": 46848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 37223,
"number_observations_unique": 4034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.049
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [47.640,9.070],
"number_observations": 5654,
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}