Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ca22a132d1584f5f235e85af3b3412f",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.599,
"b": 47.425,
"c": 78.705,
"alpha": 89.96,
"beta": 89.93,
"gamma": 73.41
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.350,1.720],
"number_observations": 298388,
"number_observations_unique": 49838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 5064,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.725
},
{
"type": "R(meas)",
"value": 4.126
},
{
"type": "R(pim)",
"value": 1.757
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 32.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [39.350,8.780],
"number_observations": 2520,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}