Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4bf36fd494298533a515e1cef9b3733e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.126,
"b": 83.289,
"c": 123.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.110,2.300],
"number_observations": 487980,
"number_observations_unique": 37685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 46449,
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.266
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [69.110,8.910],
"number_observations": 7531,
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}