Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c72d21958db97bd9168936431c32320",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.083,
"b": 59.814,
"c": 79.586,
"alpha": 79.55,
"beta": 81.29,
"gamma": 75.78
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.840,1.830],
"number_observations": 128429,
"number_observations_unique": 72935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 9618,
"number_observations_unique": 5388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "R(pim)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [49.840,8.180],
"number_observations": 1556,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}