Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ea93d7767f7c4e891e5820e0cf3d45f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.328,
"b": 56.421,
"c": 101.731,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.440,1.380],
"number_observations": 399202,
"number_observations_unique": 63586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.380],
"number_observations": 43556,
"number_observations_unique": 6767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "R(meas)",
"value": 0.763
},
{
"type": "R(pim)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [21.440,4.980],
"number_observations": 10365,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}