Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1af97755f721984a0bd55f50d7cd3868",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.02,
"b": 67.33,
"c": 80.90,
"alpha": 90.00,
"beta": 98.58,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.990,2.540],
"number_observations": 86668,
"number_observations_unique": 27403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.540],
"number_observations": 10014,
"number_observations_unique": 3320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [79.990,8.800],
"number_observations": 2141,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}