Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95a669ca8ea28cc60fbb2b4bfd997d25",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 102.60,
"b": 102.60,
"c": 49.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.300,2.400],
"number_observations": 260322,
"number_observations_unique": 10919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 18514,
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.600
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [51.300,10.730],
"number_observations": 2688,
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}