Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "062de0a915373032a5f6a940a792925f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 129.28,
"b": 132.82,
"c": 47.25,
"alpha": 90.00,
"beta": 94.13,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.420,2.430],
"number_observations": 106281,
"number_observations_unique": 28779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations": 11293,
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [39.420,9.090],
"number_observations": 2146,
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}