Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "173e80d806e4781afd82b1d863ee3402",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.424,
"b": 65.303,
"c": 84.368,
"alpha": 90.00,
"beta": 93.28,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.250,1.950],
"number_observations": 181705,
"number_observations_unique": 54553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 12141,
"number_observations_unique": 4017,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.162
},
{
"type": "R(meas)",
"value": 1.418
},
{
"type": "R(pim)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [84.250,8.720],
"number_observations": 2223,
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}