Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f5a692d349a6b720d2badabad0f6c78",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.09,
"b": 70.68,
"c": 72.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations_unique": 43774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 97.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.51,1.50],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 55.60
}
]
},
{
"resolution_limits": [1.53,1.51],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 88.80
}
]
},
{
"resolution_limits": [1.54,1.53],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 88.70
}
]
},
{
"resolution_limits": [1.55,1.54],
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 94.20
}
]
},
{
"resolution_limits": [1.57,1.55],
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [1.58,1.57],
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [1.60,1.58],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.62,1.60],
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [1.63,1.62],
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.65,1.63],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.67,1.65],
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.69,1.67],
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.71,1.69],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.73,1.71],
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.75,1.73],
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.78,1.75],
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.80,1.78],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.86,1.83],
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.89,1.86],
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.92,1.89],
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.96,1.92],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.00,1.96],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.04,2.00],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.08,2.04],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.13,2.08],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.18,2.13],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.24,2.18],
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.31,2.24],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.38,2.31],
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.47,2.38],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.56,2.47],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.68,2.56],
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.82,2.68],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [3.00,2.82],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.23,3.00],
"number_observations_unique": 1121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [3.56,3.23],
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [4.07,3.56],
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [5.13,4.07],
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [50.00,5.13],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 94.40
}
]
}
]
}