Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08e0b133226bb60772529e50c6737269",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 98.818,
"b": 98.818,
"c": 280.908,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.041,2.200],
"number_observations_unique": 42176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.23
},
{
"type": "Completeness",
"value": 99.961
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 35772,
"number_observations_unique": 5782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 35992,
"number_observations_unique": 5589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 36751,
"number_observations_unique": 5448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 37859,
"number_observations_unique": 5333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 38459,
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 39010,
"number_observations_unique": 4940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 40228,
"number_observations_unique": 4816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 7.960
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 40871,
"number_observations_unique": 4625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 10.280
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 41340,
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 14.120
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 42921,
"number_observations_unique": 4249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 18.680
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 44701,
"number_observations_unique": 4029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 24.510
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 43211,
"number_observations_unique": 3781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 42292,
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 41.010
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 40341,
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 49.330
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 38400,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 55.250
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 36063,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 61.060
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 33535,
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 59.510
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 31950,
"number_observations_unique": 2065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 63.580
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 32866,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 86.920
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [34.04,9.840],
"number_observations": 18160,
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 96.800
},
{
"type": "Completeness",
"value": 97.7
}
]
}
]
}