Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb9ce7bf78c60fc2d41f8fb9f5c38877",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.057,
"b": 56.945,
"c": 115.107,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.550,1.250],
"number_observations": 546521,
"number_observations_unique": 95247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.250],
"number_observations": 26246,
"number_observations_unique": 6859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.219
},
{
"type": "R(pim)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [57.550,5.590],
"number_observations": 7210,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}