Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "539f6eb09da1ac6b189bdef7203d7c77",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.631,
"b": 102.148,
"c": 199.969,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.350,3.000],
"number_observations": 267933,
"number_observations_unique": 36713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.130,3.000],
"number_observations": 35356,
"number_observations_unique": 4437,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.606
},
{
"type": "R(meas)",
"value": 1.718
},
{
"type": "R(pim)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [37.350,10.390],
"number_observations": 6467,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}