Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28b7d777324519a264c95b2a1a823fc7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 58.12,
"b": 86.18,
"c": 46.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.120,1.570],
"number_observations": 233949,
"number_observations_unique": 33241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.570],
"number_observations": 54412,
"number_observations_unique": 7811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [58.120,3.850],
"number_observations": 15497,
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}