Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad0bef1fe787e2660d5f05c9d9bf3b3f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.965,
"b": 49.493,
"c": 114.060,
"alpha": 90.00,
"beta": 95.37,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.560,2.290],
"number_observations": 141383,
"number_observations_unique": 40973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 13597,
"number_observations_unique": 3927,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.371
},
{
"type": "R(meas)",
"value": 1.628
},
{
"type": "R(pim)",
"value": 0.869
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [113.560,8.850],
"number_observations": 2394,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 61.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
}
]
}