Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c196cd1705e38529cbfdfcc39a4e82f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.596,
"b": 64.174,
"c": 48.262,
"alpha": 90.00,
"beta": 110.85,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.480,1.270],
"number_observations": 387728,
"number_observations_unique": 70708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.270],
"number_observations": 46659,
"number_observations_unique": 10286,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.499
},
{
"type": "R(meas)",
"value": 3.964
},
{
"type": "R(pim)",
"value": 1.833
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [44.480,4.030],
"number_observations": 13116,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}