Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2d6238cb3dc11c293a1d8c2b73ea0a8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.166,
"b": 94.948,
"c": 96.932,
"alpha": 90.00,
"beta": 97.78,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.020,2.460],
"number_observations": 87903,
"number_observations_unique": 25193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.460],
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [48.020,8.870],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}