Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "481fb07f80ea4b2d5bc1ab9590147e8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.258,
"b": 70.581,
"c": 109.773,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.840,1.370],
"number_observations": 1057862,
"number_observations_unique": 79614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 46612,
"number_observations_unique": 3889,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.654
},
{
"type": "R(meas)",
"value": 1.728
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [39.840,7.500],
"number_observations": 6595,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}