Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2318933b04f0bf1879ca1133b02119b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.440,
"b": 71.994,
"c": 78.409,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.200,2.300],
"number_observations": 1465254,
"number_observations_unique": 14274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 102.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 141195,
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.996
},
{
"type": "R(meas)",
"value": 8.035
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 102.500
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [39.200,8.900],
"number_observations": 25176,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 85.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}