Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad2ad969be88063e29159e178b83236a",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.704,
"b": 88.704,
"c": 39.559,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,0.980],
"number_observations": 1088123,
"number_observations_unique": 175774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 27133,
"number_observations_unique": 8249,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.045
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [44.350,5.370],
"number_observations": 7997,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}