Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a78df08b1d8a7896123b116ff0f0677d",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 136.830,
"b": 136.830,
"c": 116.985,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.790,2.600],
"number_observations": 249910,
"number_observations_unique": 20402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 30662,
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.451
},
{
"type": "R(meas)",
"value": 1.512
},
{
"type": "R(pim)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [44.790,9.010],
"number_observations": 5931,
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}