Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1d590841435247dd91d34dc181be63c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.305,
"b": 56.370,
"c": 102.079,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.130,1.800],
"number_observations": 199836,
"number_observations_unique": 30397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 14208,
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [29.130,8.030],
"number_observations": 2358,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 60.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}