Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5c80d41a0196ae148e6020db5bcce22",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.848,
"b": 56.882,
"c": 114.887,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.720,1.440],
"number_observations": 404499,
"number_observations_unique": 62411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations": 25418,
"number_observations_unique": 4500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [28.720,6.440],
"number_observations": 4816,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}