Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f9f3d8cdd0fd1330b1526961d4c4bf3",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 72.87,
"b": 80.58,
"c": 83.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.920,2.426],
"number_observations_unique": 19127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 1978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.206
},
{
"type": "R(pim)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [83.920,9.080],
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}