Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f04434def6ea05527f010e7996d4f4e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.70,
"b": 81.45,
"c": 31.98,
"alpha": 90.00,
"beta": 117.85,
"gamma": 90.00
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.450,1.230],
"number_observations": 92527,
"number_observations_unique": 32875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 1476,
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.396
},
{
"type": "R(meas)",
"value": 1.973
},
{
"type": "R(pim)",
"value": 1.394
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 31.000
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [81.450,5.500],
"number_observations": 1395,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}