Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23f288df2f836e2a588af5009fd075f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.231,
"b": 88.143,
"c": 82.475,
"alpha": 90.00,
"beta": 102.26,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.950],
"number_observations": 580176,
"number_observations_unique": 81454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations": 31774,
"number_observations_unique": 4369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "R(meas)",
"value": 0.689
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [44.380,10.130],
"number_observations": 4027,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}