Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fd57b6e7e14f585469a3f0a28380493",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.228,
"b": 94.228,
"c": 33.265,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.114,2.345],
"number_observations_unique": 7330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 11863,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.331
},
{
"type": "R(meas)",
"value": 1.372
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [47.110,9.080],
"number_observations": 2102,
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}