Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eeb6dddc11701f21975a2da8d03747b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.620,
"b": 56.077,
"c": 101.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.630],
"number_observations": 266152,
"number_observations_unique": 39926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 15588,
"number_observations_unique": 2744,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.017
},
{
"type": "R(meas)",
"value": 1.118
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [29.040,7.290],
"number_observations": 3237,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 62.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}