Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c9ae31f7ccf3d86541258c96a5936c2",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.176,
"b": 93.853,
"c": 117.069,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.226,1.160],
"number_observations_unique": 118866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.198,1.160],
"number_observations": 12564,
"number_observations_unique": 5943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 50.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [73.226,3.253],
"number_observations": 36137,
"number_observations_unique": 5942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 58.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}