Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41da525ddb7cc201a204f3daa27c7984",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.83,
"b": 47.12,
"c": 53.92,
"alpha": 90.0,
"beta": 109.6,
"gamma": 90.0
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.800,1.700],
"number_observations": 104844,
"number_observations_unique": 27459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 5002,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.915
},
{
"type": "R(meas)",
"value": 1.068
},
{
"type": "R(pim)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [50.800,8.990],
"number_observations": 709,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}