Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7278c65be365d5448b6b1aa7b458b0a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.872,
"b": 131.023,
"c": 106.957,
"alpha": 90.00,
"beta": 110.62,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.850,1.600],
"number_observations": 909396,
"number_observations_unique": 269898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 43441,
"number_observations_unique": 13363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}