Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "794d701c920c5639e0469d1f9b1dc139",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 73.680,
"b": 95.561,
"c": 105.785,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.790,3.300],
"number_observations": 79559,
"number_observations_unique": 11363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.300],
"number_observations": 16604,
"number_observations_unique": 2276,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.503
},
{
"type": "R(meas)",
"value": 1.617
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [105.790,8.730],
"number_observations": 4221,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}