Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad760cd1171c5d48527d60ad3e85f926",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.205,
"b": 122.555,
"c": 164.560,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.400,2.150],
"number_observations": 276508,
"number_observations_unique": 58534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 20716,
"number_observations_unique": 4489,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.684
},
{
"type": "R(meas)",
"value": 1.879
},
{
"type": "R(pim)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [82.400,9.370],
"number_observations": 3466,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}