Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae42546d9082a537b3b74925646934f5",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.784,
"b": 88.784,
"c": 39.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77487],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.705,1.000],
"number_observations": 1125057,
"number_observations_unique": 165952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.920
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 173894,
"number_observations_unique": 26213,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.020
},
{
"type": "R(meas)",
"value": 1.106
},
{
"type": "I/SigI",
"value": 0.850
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 172476,
"number_observations_unique": 25216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.220,1.130],
"number_observations": 151347,
"number_observations_unique": 23342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.340,1.220],
"number_observations": 153694,
"number_observations_unique": 21661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 136459,
"number_observations_unique": 19633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 112830,
"number_observations_unique": 17300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 104159,
"number_observations_unique": 14699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 12.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 76029,
"number_observations_unique": 11428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 14.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [39.705,2.990],
"number_observations": 44169,
"number_observations_unique": 6460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}