Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92b23f1d2df565dd72f8c9a779710a7f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.736,
"b": 61.725,
"c": 52.971,
"alpha": 90.00,
"beta": 106.47,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.900,1.350],
"number_observations_unique": 58620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 2829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [42.900,7.390],
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.5
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}