Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54617e6e9840a38e473f59f94a78ab5e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.751,
"b": 57.075,
"c": 115.120,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.560,1.480],
"number_observations": 365002,
"number_observations_unique": 57182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 24639,
"number_observations_unique": 4129,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.567
},
{
"type": "R(meas)",
"value": 1.718
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [57.560,6.620],
"number_observations": 4552,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}