Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d62269144b757931539520232d367bbf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.123,
"b": 132.504,
"c": 80.507,
"alpha": 90.00,
"beta": 110.67,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.280,1.740],
"number_observations": 469453,
"number_observations_unique": 137152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 22714,
"number_observations_unique": 6723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [46.280,9.530],
"number_observations": 3035,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}