Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85fd6121f8458410cc136b57bccf20be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.80,
"b": 45.69,
"c": 147.02,
"alpha": 90.00,
"beta": 92.87,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,3.000],
"number_observations": 30010,
"number_observations_unique": 6161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 4096,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [29.370,9.000],
"number_observations": 1249,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}