Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee5f2a77d5d051af541d7bfe964541a1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.276,
"b": 61.430,
"c": 122.520,
"alpha": 90.00,
"beta": 93.97,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [122.230,3.100],
"number_observations": 70797,
"number_observations_unique": 20442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.100],
"number_observations": 11603,
"number_observations_unique": 3525,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.414
},
{
"type": "R(meas)",
"value": 1.689
},
{
"type": "R(pim)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [122.230,8.780],
"number_observations": 3031,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}