Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a59c39a07c12c7fd55c12fb712871802",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.389,
"b": 71.389,
"c": 150.006,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.3760,1.350],
"number_observations": 1013594,
"number_observations_unique": 82938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 22029,
"number_observations_unique": 2786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 66.900
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [29.380,7.390],
"number_observations": 6975,
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}