Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14fcbc5d2107ef84e6cb1203b8bfb793",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.085,
"b": 52.818,
"c": 44.606,
"alpha": 90.00,
"beta": 103.03,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.090,1.430],
"number_observations": 174626,
"number_observations_unique": 45974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 8516,
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.596
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "R(pim)",
"value": 0.934
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [55.090,7.830],
"number_observations": 1206,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}