Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "baee734b4a36adf305618c16bbcc276e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.12,
"b": 42.23,
"c": 70.29,
"alpha": 90.00,
"beta": 98.33,
"gamma": 90.00
},
"wavelengths": [1.54200,2.85000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.100,1.500],
"number_observations": 224095,
"number_observations_unique": 58482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 10220,
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [36.100,8.220],
"number_observations": 1414,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}