Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63fcb8fc86b48f3e4fb1a971c558df48",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.155,
"b": 145.525,
"c": 93.812,
"alpha": 90.00,
"beta": 102.48,
"gamma": 90.00
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.970,2.550],
"number_observations_unique": 43754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.550],
"number_observations_unique": 2121,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.175
},
{
"type": "R(meas)",
"value": 3.424
},
{
"type": "R(pim)",
"value": 1.274
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [56.990,6.910],
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 43.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}