Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c50557e74b7a43cbc40e90c192e2fcc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 155.50,
"b": 156.52,
"c": 325.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.273,7.810],
"number_observations_unique": 8723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 10.67
},
{
"type": "Completeness",
"value": 92.1
}
]
},
"refln_shells": [
{
"resolution_limits": [8.010,7.810],
"number_observations": 1724,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 77.4
}
]
},
{
"resolution_limits": [8.230,8.010],
"number_observations": 2643,
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 3.980
},
{
"type": "Completeness",
"value": 95.9
}
]
},
{
"resolution_limits": [8.470,8.230],
"number_observations": 2597,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 96.9
}
]
},
{
"resolution_limits": [8.730,8.470],
"number_observations": 2486,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 95.9
}
]
},
{
"resolution_limits": [9.020,8.730],
"number_observations": 2518,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 7.310
},
{
"type": "Completeness",
"value": 96.8
}
]
},
{
"resolution_limits": [9.340,9.020],
"number_observations": 2339,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 95.4
}
]
},
{
"resolution_limits": [9.690,9.340],
"number_observations": 2265,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 9.920
},
{
"type": "Completeness",
"value": 96.2
}
]
},
{
"resolution_limits": [10.080,9.690],
"number_observations": 2196,
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 95.2
}
]
},
{
"resolution_limits": [10.530,10.080],
"number_observations": 2125,
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 94.5
}
]
},
{
"resolution_limits": [11.050,10.530],
"number_observations": 1989,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 11.640
},
{
"type": "Completeness",
"value": 96.0
}
]
},
{
"resolution_limits": [11.640,11.050],
"number_observations": 1972,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 14.210
},
{
"type": "Completeness",
"value": 95.0
}
]
},
{
"resolution_limits": [12.350,11.640],
"number_observations": 1749,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 15.210
},
{
"type": "Completeness",
"value": 93.2
}
]
},
{
"resolution_limits": [13.200,12.350],
"number_observations": 1691,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 16.140
},
{
"type": "Completeness",
"value": 93.8
}
]
},
{
"resolution_limits": [14.260,13.200],
"number_observations": 1546,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 93.4
}
]
},
{
"resolution_limits": [15.620,14.260],
"number_observations": 1497,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 16.220
},
{
"type": "Completeness",
"value": 93.2
}
]
},
{
"resolution_limits": [17.470,15.620],
"number_observations": 1235,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.270
},
{
"type": "Completeness",
"value": 92.9
}
]
},
{
"resolution_limits": [20.170,17.470],
"number_observations": 1084,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 20.470
},
{
"type": "Completeness",
"value": 91.7
}
]
},
{
"resolution_limits": [24.700,20.170],
"number_observations": 560,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 83.0
}
]
},
{
"resolution_limits": [34.930,24.700],
"number_observations": 217,
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 53.6
}
]
},
{
"resolution_limits": [91.273,34.930],
"number_observations": 282,
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 0.010
},
{
"type": "Completeness",
"value": 68.1
}
]
}
]
}