Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "947525bb9165efeee6625e6be14e9530",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.819,
"b": 89.819,
"c": 106.536,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.786,1.840],
"number_observations": 432008,
"number_observations_unique": 83239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 16.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.840],
"number_observations": 65589,
"number_observations_unique": 13455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.922
},
{
"type": "R(meas)",
"value": 1.035
},
{
"type": "I/SigI",
"value": 1.450
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [2.090,1.950],
"number_observations": 67962,
"number_observations_unique": 12681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [2.250,2.090],
"number_observations": 60496,
"number_observations_unique": 11747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.470,2.250],
"number_observations": 56466,
"number_observations_unique": 10839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.760,2.470],
"number_observations": 52549,
"number_observations_unique": 9779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 13.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.190,2.760],
"number_observations": 44567,
"number_observations_unique": 8675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.900,3.190],
"number_observations": 39314,
"number_observations_unique": 7318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 41.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.510,3.900],
"number_observations": 28841,
"number_observations_unique": 5638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 55.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [77.786,5.510],
"number_observations": 16224,
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 60.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}