Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f8035f90b3320780169b8ab825e7562",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.39,
"b": 81.27,
"c": 59.61,
"alpha": 90.0,
"beta": 92.1,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.350,1.710],
"number_observations": 297540,
"number_observations_unique": 57833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 14795,
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [56.350,9.060],
"number_observations": 2070,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}