Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dcc5047f98e273d0f23d59e0156b575",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.503,
"b": 109.628,
"c": 92.490,
"alpha": 90.00,
"beta": 102.14,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.760,3.310],
"number_observations": 98562,
"number_observations_unique": 14187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [3.400,3.310],
"number_observations": 6686,
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.419
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [109.760,14.800],
"number_observations": 1172,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}