Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3107a8ce1eecfdcdd44de5db67e30625",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.396,
"b": 52.781,
"c": 44.792,
"alpha": 90.00,
"beta": 103.05,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.550,2.220],
"number_observations": 48314,
"number_observations_unique": 12786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.220],
"number_observations": 7136,
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.355
},
{
"type": "R(meas)",
"value": 1.565
},
{
"type": "R(pim)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [47.550,7.020],
"number_observations": 1504,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}