Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7c27bbbeaa8293b16d2eccd81fd6b1b7",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.697,
"b": 88.697,
"c": 39.491,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,0.990],
"number_observations": 1084918,
"number_observations_unique": 170193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 37884,
"number_observations_unique": 8002,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.046
},
{
"type": "R(meas)",
"value": 2.302
},
{
"type": "R(pim)",
"value": 1.032
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.373
}
]
},
{
"resolution_limits": [44.350,5.420],
"number_observations": 7931,
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}