Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c534431eb95c8e3842a6eb80bba2e04",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.453,
"b": 111.473,
"c": 63.675,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.920,1.950],
"number_observations": 141126,
"number_observations_unique": 21097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 9395,
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.064
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [45.920,8.940],
"number_observations": 1193,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}