Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a1c7a7a7feeda1ef591322a1a593b0d",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.65,
"b": 67.65,
"c": 166.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.940,1.850],
"number_observations": 180457,
"number_observations_unique": 19883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11223,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.453
},
{
"type": "R(meas)",
"value": 2.594
},
{
"type": "R(pim)",
"value": 0.831
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
},
{
"resolution_limits": [33.940,9.060],
"number_observations": 1508,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}