Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "281b60a5841f63fd7aeb16b87bc62c28",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.363,
"b": 91.106,
"c": 99.086,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.680,1.730],
"number_observations": 243125,
"number_observations_unique": 32165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.730],
"number_observations": 34231,
"number_observations_unique": 4618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [33.680,5.460],
"number_observations": 7836,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}