Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60e85790060fbb5230c364381be800be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.855,
"b": 61.719,
"c": 53.245,
"alpha": 90.00,
"beta": 106.57,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.990,1.950],
"number_observations_unique": 20293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [42.990,8.940],
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.9
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}