Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6153f073208a5e40a98e716f36078d86",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.060,
"b": 56.996,
"c": 115.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.000,1.230],
"number_observations": 562580,
"number_observations_unique": 100195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 26298,
"number_observations_unique": 7354,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.027
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "R(pim)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [57.000,5.500],
"number_observations": 7508,
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}