Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "745d8ed981e758807e010500de53b570",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 175.258,
"b": 96.662,
"c": 124.259,
"alpha": 90.00,
"beta": 102.75,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.200,1.480],
"number_observations": 2395184,
"number_observations_unique": 324139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.480],
"number_observations": 366843,
"number_observations_unique": 49029,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.856
},
{
"type": "R(meas)",
"value": 1.993
},
{
"type": "R(pim)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [121.200,4.670],
"number_observations": 77139,
"number_observations_unique": 10907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}