Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f79eb3b21185ffd34ccb7751d28bf55",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 95.287,
"b": 95.287,
"c": 95.287,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.610,1.070],
"number_observations": 475646,
"number_observations_unique": 121734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.090,1.070],
"number_observations": 14743,
"number_observations_unique": 5443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 1.075
},
{
"type": "R(pim)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [42.610,5.860],
"number_observations": 3430,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.300
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}