Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "291dfb562cc05c8510ca031a49f42a31",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.429,
"b": 53.057,
"c": 44.674,
"alpha": 90.0,
"beta": 103.1,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.960,1.430],
"number_observations": 141937,
"number_observations_unique": 45991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 4211,
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.026
},
{
"type": "R(meas)",
"value": 1.353
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.315
}
]
},
{
"resolution_limits": [54.960,7.850],
"number_observations": 1133,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}