Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ec1311f9faafdefbe295872bbbc3993",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 68.58,
"b": 68.58,
"c": 108.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.900,1.640],
"number_observations": 60283,
"number_observations_unique": 32257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 3028,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 1.318
},
{
"type": "R(pim)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [57.900,8.980],
"number_observations": 361,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}