Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94a4ee2b3179798c10d04302064ab4f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 137.665,
"b": 165.780,
"c": 243.992,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.130,4.200],
"number_observations": 277534,
"number_observations_unique": 41484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [4.370,4.200],
"number_observations": 32400,
"number_observations_unique": 4613,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.197
},
{
"type": "R(pim)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [49.130,15.140],
"number_observations": 5075,
"number_observations_unique": 962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}