Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f87d6d38f1f32306bc70468d19564d6a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.655,
"b": 48.005,
"c": 70.781,
"alpha": 90.00,
"beta": 90.87,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.760,1.440],
"number_observations": 351261,
"number_observations_unique": 52914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.440],
"number_observations_unique": 2498,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.882
},
{
"type": "R(meas)",
"value": 4.351
},
{
"type": "R(pim)",
"value": 1.928
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.182
}
]
},
{
"resolution_limits": [70.760,7.880],
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 62.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
}
]
}