Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c037928f6a0803ca5c01e97121b3e51",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 53.718,
"b": 110.559,
"c": 38.985,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.560,1.450],
"number_observations": 536224,
"number_observations_unique": 41453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 27970,
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.303
},
{
"type": "R(meas)",
"value": 1.355
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [110.560,7.810],
"number_observations": 3924,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 53.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}