Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17ecfe6ac475601c7c47cfba11d2417c",
"space_group_name": "P 1",
"unit_cell": {
"a": 71.95,
"b": 96.48,
"c": 97.66,
"alpha": 80.14,
"beta": 77.81,
"gamma": 81.17
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.030,1.900],
"number_observations": 892667,
"number_observations_unique": 181132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 44127,
"number_observations_unique": 9132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [31.030,10.410],
"number_observations": 5352,
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}