Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bae02806d9b6ba421ed38f155f418539",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.014,
"b": 56.927,
"c": 115.171,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.940,1.260],
"number_observations": 528385,
"number_observations_unique": 92908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.260],
"number_observations": 25724,
"number_observations_unique": 6776,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.131
},
{
"type": "R(meas)",
"value": 1.313
},
{
"type": "R(pim)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [56.940,5.630],
"number_observations": 6959,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 62.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}