Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87ef303242dfc7af83cae388d7585b57",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.243,
"b": 64.154,
"c": 74.432,
"alpha": 90.00,
"beta": 125.89,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,2.140],
"number_observations": 101868,
"number_observations_unique": 24700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 7793,
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.874
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [47.490,9.060],
"number_observations": 1301,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}