Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a28491b81154c950d1424ea1c6a21bd9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 107.219,
"b": 133.806,
"c": 147.866,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.29,2.900],
"number_observations_unique": 46821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations": 40856,
"number_observations_unique": 4526,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.648
},
{
"type": "R(meas)",
"value": 1.744
},
{
"type": "R(pim)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [49.290,11.230],
"number_observations": 7339,
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}