Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b0083b6febd677c88adbd6c1f696ac8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.014,
"b": 163.350,
"c": 216.021,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.620,2.500],
"number_observations": 651001,
"number_observations_unique": 96196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations": 33653,
"number_observations_unique": 4787,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.213
},
{
"type": "R(meas)",
"value": 1.312
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [48.620,13.690],
"number_observations": 4297,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}