Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ea541a99daf9b49d27fdfe2e9b81623",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.047,
"b": 157.800,
"c": 181.894,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.840,2.420],
"number_observations": 1023152,
"number_observations_unique": 115614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.420],
"number_observations": 46780,
"number_observations_unique": 5508,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.332
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [49.840,13.250],
"number_observations": 6188,
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}