Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e713da9b96c6b2f88b771a17a0fcefe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.294,
"b": 61.259,
"c": 65.908,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.800],
"number_observations": 121347,
"number_observations_unique": 18410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 8419,
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 0.908
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [29.020,8.040],
"number_observations": 1455,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}