Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb98fc7ab932c2bc9ea0c0ed6fe0c358",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.54,
"b": 52.24,
"c": 101.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.430,1.980],
"number_observations": 121575,
"number_observations_unique": 19009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 9027,
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.398
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [28.430,8.850],
"number_observations": 1407,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}