Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0a8f9e3033e75fc96b5bd0a1fffca6c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.990,
"b": 57.280,
"c": 121.599,
"alpha": 90.00,
"beta": 94.93,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.950,1.800],
"number_observations_unique": 82790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 14898,
"number_observations_unique": 4301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [46.910,9.350],
"number_observations": 2303,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}