Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a71e274165a3ca40097739fbe07fba5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.776,
"b": 83.437,
"c": 94.912,
"alpha": 90.000,
"beta": 106.861,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.450,1.910],
"number_observations": 270640,
"number_observations_unique": 91911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.910],
"number_observations": 14089,
"number_observations_unique": 4596,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.591
},
{
"type": "R(pim)",
"value": 0.895
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [61.450,10.460],
"number_observations": 1505,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}