Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a744678d63ccbe44d21a884c8eb7a859",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.896,
"b": 56.860,
"c": 115.074,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.540,1.780],
"number_observations": 216208,
"number_observations_unique": 33456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 14938,
"number_observations_unique": 2418,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.611
},
{
"type": "R(pim)",
"value": 0.642
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [57.540,7.960],
"number_observations": 2760,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}