Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e800e783e71e6e7a3e1751705ba4f18",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.024,
"b": 57.155,
"c": 115.249,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.810,1.340],
"number_observations": 487550,
"number_observations_unique": 78028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 28262,
"number_observations_unique": 5692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.703
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [28.810,5.990],
"number_observations": 5917,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}