Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3251908f3c67cd84f0e9ac6fe73fb327",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.532,
"b": 71.422,
"c": 88.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.6300,1.900],
"number_observations_unique": 30812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 18.180
},
{
"type": "Completeness",
"value": 99.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.900],
"number_observations": 33521,
"number_observations_unique": 4815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 4.530
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 33047,
"number_observations_unique": 4610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 7.060
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 32005,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 10.180
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.540,2.320],
"number_observations": 28724,
"number_observations_unique": 3960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 12.380
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.840,2.540],
"number_observations": 26951,
"number_observations_unique": 3632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 17.980
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.270,2.840],
"number_observations": 23456,
"number_observations_unique": 3215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 25.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.270],
"number_observations": 20069,
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 38.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.600,4.000],
"number_observations": 15059,
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.390
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [28.6300,5.600],
"number_observations": 8649,
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 46.320
},
{
"type": "Completeness",
"value": 99.100
}
]
}
]
}