Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66cdd0322e401c3fd34ce45db8ca9da5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.55,
"b": 79.13,
"c": 89.39,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.550,1.340],
"number_observations": 646369,
"number_observations_unique": 100147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 41056,
"number_observations_unique": 7320,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.698
},
{
"type": "R(meas)",
"value": 1.875
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.387
}
]
},
{
"resolution_limits": [62.550,5.990],
"number_observations": 8017,
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}