Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98ecbba50ab878c7b18fe38af9b3af80",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.334,
"b": 56.068,
"c": 101.711,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.560],
"number_observations": 300893,
"number_observations_unique": 45992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 20471,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [29.010,6.960],
"number_observations": 3734,
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 67.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}