Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b789c118d4c5d46267d52cd2102ffe4c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.543,
"b": 71.543,
"c": 150.843,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.450,1.460],
"number_observations": 891416,
"number_observations_unique": 68689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.460],
"number_observations": 39394,
"number_observations_unique": 3308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.950
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [29.450,8.000],
"number_observations": 5929,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 71.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}