Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b09eaae01684f97f60d9408de2a9cf6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 136.613,
"b": 82.808,
"c": 158.922,
"alpha": 90.00,
"beta": 100.02,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [156.500,3.100],
"number_observations": 529570,
"number_observations_unique": 63753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations": 37447,
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.541
},
{
"type": "R(meas)",
"value": 1.642
},
{
"type": "R(pim)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [156.500,14.210],
"number_observations": 5361,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}