Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10253ded4c6d56463adffcdff37bd50c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.56,
"b": 77.46,
"c": 99.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.460,1.770],
"number_observations": 192376,
"number_observations_unique": 29878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 13267,
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.575
},
{
"type": "R(meas)",
"value": 1.723
},
{
"type": "R(pim)",
"value": 0.691
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.479
}
]
},
{
"resolution_limits": [77.460,7.920],
"number_observations": 2321,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 55.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}