Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc721456767c9e43db6e595e04f566a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.280,
"b": 56.423,
"c": 102.010,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,1.920],
"number_observations": 163389,
"number_observations_unique": 24944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 11572,
"number_observations_unique": 1769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [29.120,8.580],
"number_observations": 1987,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}