Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba4c7f94fee8b86a0b09850d11b4717a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.227,
"b": 94.144,
"c": 96.293,
"alpha": 90.00,
"beta": 94.14,
"gamma": 90.00
},
"wavelengths": [0.93600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.230,2.450],
"number_observations": 155393,
"number_observations_unique": 37276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 16992,
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [67.230,8.830],
"number_observations": 3673,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 73.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}